N-[(2S)-1-hydroxy-5-oxo-5-[4-[(3R)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraenylidene]piperidin-1-yl]pentan-2-yl]acetamide

C27H36N2O3 — CID 142216523

IUPACN-[(2S)-1-hydroxy-5-oxo-5-[4-[(3R)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraenylidene]piperidin-1-yl]pentan-2-yl]acetamide
SMILESCC(=O)N[C@H](CO)CCC(=O)N1CCC(=C2c3ccccc3C=CC3CCCC[C@@H]23)CC1
InChIInChI=1S/C27H36N2O3/c1-19(31)28-23(18-30)12-13-26(32)29-16-14-22(15-17-29)27-24-8-4-2-6-20(24)10-11-21-7-3-5-9-25(21)27/h2,4,6,8,10-11,21,23,25,30H,3,5,7,9,12-18H2,1H3,(H,28,31)/t21?,23-,25+/m0/s1
InChIKeyXZVHOZJKTBLIAU-QRFCCWDFSA-N
MW436.60 g/mol
LogP4.17
Rot. Bonds5

About N-[(2S)-1-hydroxy-5-oxo-5-[4-[(3R)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraenylidene]piperidin-1-yl]pentan-2-yl]acetamide

N-[(2S)-1-hydroxy-5-oxo-5-[4-[(3R)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraenylidene]piperidin-1-yl]pentan-2-yl]acetamide (PubChem CID 142216523) has the molecular formula C27H36N2O3 and a molecular weight of 436.60 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-5-oxo-5-[4-[(3R)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraenylidene]piperidin-1-yl]pentan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-5-oxo-5-[4-[(3R)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraenylidene]piperidin-1-yl]pentan-2-yl]acetamide
PubChem CID142216523
Molecular FormulaC27H36N2O3
Molecular Weight436.60 g/mol
Exact Mass436.27
IUPAC NameN-[(2S)-1-hydroxy-5-oxo-5-[4-[(3R)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraenylidene]piperidin-1-yl]pentan-2-yl]acetamide
SMILESCC(=O)N[C@H](CO)CCC(=O)N1CCC(=C2c3ccccc3C=CC3CCCC[C@@H]23)CC1
InChIInChI=1S/C27H36N2O3/c1-19(31)28-23(18-30)12-13-26(32)29-16-14-22(15-17-29)27-24-8-4-2-6-20(24)10-11-21-7-3-5-9-25(21)27/h2,4,6,8,10-11,21,23,25,30H,3,5,7,9,12-18H2,1H3,(H,28,31)/t21?,23-,25+/m0/s1
InChIKeyXZVHOZJKTBLIAU-QRFCCWDFSA-N
XLogP4.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-1-hydroxy-5-oxo-5-[4-[(3R)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraenylidene]piperidin-1-yl]pentan-2-yl]acetamide with MolForge

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Related Compounds

N-[(2S)-2-hydroxy-1-[3-oxo-3-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]propyl]cyclopropyl]cyclohexanecarboxamide
CID 142216520
6-methoxy-1-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]hept-6-en-1-one
CID 178031505
[3-cyclohexyl-1-[[1-hydroxy-5-oxo-5-(2-phenylmorpholin-4-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]carbamic acid
CID 166748844
2-[4-(4-cyclopentylpiperazin-1-yl)-4-oxobutyl]isoindole-1,3-dione
CID 134020573
benzyl N-[(2S)-1-hydroxy-5-[(8S)-8-hydroxy-6-azaspiro[2.5]octan-6-yl]-5-oxopentan-2-yl]carbamate
CID 67093108
N-[1-[3-(1,3-dioxoisoindol-2-yl)propanoyl]piperidin-4-yl]methanesulfonamide
CID 108564737
4-methyl-1-(3-phenylpyrrolidin-1-yl)pentan-1-one
CID 60605253
1-butanoyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-3-carboxamide
CID 109388022
methyl 4-[3-(1,3-dioxoisoindol-2-yl)propanoyl]-1,4-diazepane-1-carboxylate
CID 110798783
methyl (2S)-2-amino-5-oxo-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pentanoate
CID 156858154
2-cyclohexyl-4-[4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)piperidin-1-yl]butanoic acid
CID 22990659
N-[(1S)-2-hydroxy-1-phenylethyl]-4-(4-methylsulfonylpiperazin-1-yl)-4-oxobutanamide
CID 29139997

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-5-oxo-5-[4-[(3R)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraenylidene]piperidin-1-yl]pentan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-hydroxy-5-oxo-5-[4-[(3R)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraenylidene]piperidin-1-yl]pentan-2-yl]acetamide (CID 142216523) is N-[(2S)-1-hydroxy-5-oxo-5-[4-[(3R)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraenylidene]piperidin-1-yl]pentan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-5-oxo-5-[4-[(3R)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraenylidene]piperidin-1-yl]pentan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-hydroxy-5-oxo-5-[4-[(3R)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraenylidene]piperidin-1-yl]pentan-2-yl]acetamide is CC(=O)N[C@H](CO)CCC(=O)N1CCC(=C2c3ccccc3C=CC3CCCC[C@@H]23)CC1.
What is the InChIKey of N-[(2S)-1-hydroxy-5-oxo-5-[4-[(3R)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraenylidene]piperidin-1-yl]pentan-2-yl]acetamide?
The InChIKey is XZVHOZJKTBLIAU-QRFCCWDFSA-N. The full InChI is InChI=1S/C27H36N2O3/c1-19(31)28-23(18-30)12-13-26(32)29-16-14-22(15-17-29)27-24-8-4-2-6-20(24)10-11-21-7-3-5-9-25(21)27/h2,4,6,8,10-11,21,23,25,30H,3,5,7,9,12-18H2,1H3,(H,28,31)/t21?,23-,25+/m0/s1.
What are the key properties of N-[(2S)-1-hydroxy-5-oxo-5-[4-[(3R)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraenylidene]piperidin-1-yl]pentan-2-yl]acetamide?
N-[(2S)-1-hydroxy-5-oxo-5-[4-[(3R)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraenylidene]piperidin-1-yl]pentan-2-yl]acetamide has a molecular weight of 436.60 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-5-oxo-5-[4-[(3R)-2-tricyclo[9.4.0.03,8]pentadeca-1(15),9,11,13-tetraenylidene]piperidin-1-yl]pentan-2-yl]acetamide is sourced from PubChem (CID 142216523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).