cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]-4-methylpentanoate;cyclopentyl (2R)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]pentanoate;2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoic acid

C80H104N2O12 — CID 161027233

IUPACcyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]-4-methylpentanoate;cyclopentyl (2R)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]pentanoate;2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoic acid
SMILESC=C(C)c1cc(C(=O)N2CCC(C[C@@H](CC(C)C)C(=O)OC3CCCC3)CC2)c(C)cc1OCc1ccccc1.C=C(C)c1cc(C(=O)N2CCC(C[C@@H](CC(C)C)C(=O)OC3CCCC3)CC2)c(O)cc1O.C=C(C)c1cc(C(=O)O)c(C)cc1OCc1ccccc1
InChIInChI=1S/C35H47NO4.C27H39NO5.C18H18O3/c1-24(2)19-29(35(38)40-30-13-9-10-14-30)21-27-15-17-36(18-16-27)34(37)32-22-31(25(3)4)33(20-26(32)5)39-23-28-11-7-6-8-12-28;1-17(2)13-20(27(32)33-21-7-5-6-8-21)14-19-9-11-28(12-10-19)26(31)23-15-22(18(3)4)24(29)16-25(23)30;1-12(2)15-10-16(18(19)20)13(3)9-17(15)21-11-14-7-5-4-6-8-14/h6-8,11-12,20,22,24,27,29-30H,3,9-10,13-19,21,23H2,1-2,4-5H3;15-17,19-21,29-30H,3,5-14H2,1-2,4H3;4-10H,1,11H2,2-3H3,(H,19,20)/t29-;20-;/m11./s1
InChIKeyTZDMDSWQPCUAEF-SYRDZINVSA-N
MW1285.71 g/mol
LogP17.82
Rot. Bonds24

About cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]-4-methylpentanoate;cyclopentyl (2R)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]pentanoate;2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoic acid

cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]-4-methylpentanoate;cyclopentyl (2R)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]pentanoate;2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoic acid (PubChem CID 161027233) has the molecular formula C80H104N2O12 and a molecular weight of 1285.71 g/mol. Its IUPAC name is cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]-4-methylpentanoate;cyclopentyl (2R)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]pentanoate;2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoic acid.

Molecular Properties

Compound Namecyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]-4-methylpentanoate;cyclopentyl (2R)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]pentanoate;2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoic acid
PubChem CID161027233
Molecular FormulaC80H104N2O12
Molecular Weight1285.71 g/mol
Exact Mass1284.76
IUPAC Namecyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]-4-methylpentanoate;cyclopentyl (2R)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]pentanoate;2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoic acid
SMILESC=C(C)c1cc(C(=O)N2CCC(C[C@@H](CC(C)C)C(=O)OC3CCCC3)CC2)c(C)cc1OCc1ccccc1.C=C(C)c1cc(C(=O)N2CCC(C[C@@H](CC(C)C)C(=O)OC3CCCC3)CC2)c(O)cc1O.C=C(C)c1cc(C(=O)O)c(C)cc1OCc1ccccc1
InChIInChI=1S/C35H47NO4.C27H39NO5.C18H18O3/c1-24(2)19-29(35(38)40-30-13-9-10-14-30)21-27-15-17-36(18-16-27)34(37)32-22-31(25(3)4)33(20-26(32)5)39-23-28-11-7-6-8-12-28;1-17(2)13-20(27(32)33-21-7-5-6-8-21)14-19-9-11-28(12-10-19)26(31)23-15-22(18(3)4)24(29)16-25(23)30;1-12(2)15-10-16(18(19)20)13(3)9-17(15)21-11-14-7-5-4-6-8-14/h6-8,11-12,20,22,24,27,29-30H,3,9-10,13-19,21,23H2,1-2,4-5H3;15-17,19-21,29-30H,3,5-14H2,1-2,4H3;4-10H,1,11H2,2-3H3,(H,19,20)/t29-;20-;/m11./s1
InChIKeyTZDMDSWQPCUAEF-SYRDZINVSA-N
XLogP17.82
TPSA189.44 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds24
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001285.71
LogP ≤ 517.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]-4-methylpentanoate;cyclopentyl (2R)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]pentanoate;2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoic acid with MolForge

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Launch Full Analysis

Related Compounds

cyclopentyl (2S)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]methylamino]-4-methylpentanoate;cyclopentyl (2S)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methylamino]pentanoate;1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidine-4-carbaldehyde
CID 160713423
2-[1-[2,4-bis(phenylmethoxy)-5-prop-1-en-2-ylbenzoyl]piperidin-4-yl]acetaldehyde
CID 86686420
cyclopentyl 2-[[2-[2,4-bis(phenylmethoxy)-5-prop-1-en-2-ylbenzoyl]-1,3-dihydroisoindol-5-yl]methylamino]-4-methylpentanoate
CID 123657596
cyclopentyl 2-[2-[2,4-bis(phenylmethoxy)-5-prop-1-en-2-ylbenzoyl]-2-[(Z)-2-methylidenepent-3-enyl]hydrazinyl]-4-methylpentanoate
CID 163624353
[5-bromo-2,4-bis(phenylmethoxy)phenyl]-(1,3-dihydroisoindol-2-yl)methanone;5-bromo-2-methyl-4-phenylmethoxybenzoic acid
CID 159783229
(5-chloro-2-phenylmethoxyphenyl)-(4-methylpiperidin-1-yl)methanone
CID 8800006
benzyl 4-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 66569243
1-[2,4-bis(phenylmethoxy)-5-prop-1-en-2-ylphenyl]piperidine-4-carbaldehyde
CID 89497829
2-[2-(4-phenylmethoxypiperidine-1-carbonyl)phenoxy]acetamide
CID 120660781
benzyl 4-[(5-acetyl-2-methoxyphenoxy)methyl]piperidine-1-carboxylate
CID 166624647
benzyl 3-(2-methylpropanoyloxy)piperidine-1-carboxylate
CID 174760460
benzyl 4-[(2R)-2-amino-3-methoxy-3-oxopropyl]piperidine-1-carboxylate
CID 155904176

Frequently Asked Questions

What is the IUPAC name of cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]-4-methylpentanoate;cyclopentyl (2R)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]pentanoate;2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoic acid?
The IUPAC name of cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]-4-methylpentanoate;cyclopentyl (2R)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]pentanoate;2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoic acid (CID 161027233) is cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]-4-methylpentanoate;cyclopentyl (2R)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]pentanoate;2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoic acid.
What is the SMILES notation for cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]-4-methylpentanoate;cyclopentyl (2R)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]pentanoate;2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoic acid?
The canonical SMILES for cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]-4-methylpentanoate;cyclopentyl (2R)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]pentanoate;2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoic acid is C=C(C)c1cc(C(=O)N2CCC(C[C@@H](CC(C)C)C(=O)OC3CCCC3)CC2)c(C)cc1OCc1ccccc1.C=C(C)c1cc(C(=O)N2CCC(C[C@@H](CC(C)C)C(=O)OC3CCCC3)CC2)c(O)cc1O.C=C(C)c1cc(C(=O)O)c(C)cc1OCc1ccccc1.
What is the InChIKey of cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]-4-methylpentanoate;cyclopentyl (2R)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]pentanoate;2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoic acid?
The InChIKey is TZDMDSWQPCUAEF-SYRDZINVSA-N. The full InChI is InChI=1S/C35H47NO4.C27H39NO5.C18H18O3/c1-24(2)19-29(35(38)40-30-13-9-10-14-30)21-27-15-17-36(18-16-27)34(37)32-22-31(25(3)4)33(20-26(32)5)39-23-28-11-7-6-8-12-28;1-17(2)13-20(27(32)33-21-7-5-6-8-21)14-19-9-11-28(12-10-19)26(31)23-15-22(18(3)4)24(29)16-25(23)30;1-12(2)15-10-16(18(19)20)13(3)9-17(15)21-11-14-7-5-4-6-8-14/h6-8,11-12,20,22,24,27,29-30H,3,9-10,13-19,21,23H2,1-2,4-5H3;15-17,19-21,29-30H,3,5-14H2,1-2,4H3;4-10H,1,11H2,2-3H3,(H,19,20)/t29-;20-;/m11./s1.
What are the key properties of cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]-4-methylpentanoate;cyclopentyl (2R)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]pentanoate;2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoic acid?
cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]-4-methylpentanoate;cyclopentyl (2R)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]pentanoate;2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoic acid has a molecular weight of 1285.71 g/mol, XLogP of 17.82, 24 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]-4-methylpentanoate;cyclopentyl (2R)-4-methyl-2-[[1-(2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoyl)piperidin-4-yl]methyl]pentanoate;2-methyl-4-phenylmethoxy-5-prop-1-en-2-ylbenzoic acid is sourced from PubChem (CID 161027233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).