cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-4-methylpentanoate

C26H40N2O5 — CID 54766355

IUPACcyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-4-methylpentanoate
SMILESCC(C)C[C@@H](NC1CCN(C(=O)c2cc(C(C)C)c(O)cc2O)CC1)C(=O)OC1CCCC1
InChIInChI=1S/C26H40N2O5/c1-16(2)13-22(26(32)33-19-7-5-6-8-19)27-18-9-11-28(12-10-18)25(31)21-14-20(17(3)4)23(29)15-24(21)30/h14-19,22,27,29-30H,5-13H2,1-4H3/t22-/m1/s1
InChIKeyVLFKQONGLOBNAU-JOCHJYFZSA-N
MW460.62 g/mol
LogP4.32
Rot. Bonds8

About cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-4-methylpentanoate

cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-4-methylpentanoate (PubChem CID 54766355) has the molecular formula C26H40N2O5 and a molecular weight of 460.62 g/mol. Its IUPAC name is cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-4-methylpentanoate.

Molecular Properties

Compound Namecyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-4-methylpentanoate
PubChem CID54766355
Molecular FormulaC26H40N2O5
Molecular Weight460.62 g/mol
Exact Mass460.29
IUPAC Namecyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-4-methylpentanoate
SMILESCC(C)C[C@@H](NC1CCN(C(=O)c2cc(C(C)C)c(O)cc2O)CC1)C(=O)OC1CCCC1
InChIInChI=1S/C26H40N2O5/c1-16(2)13-22(26(32)33-19-7-5-6-8-19)27-18-9-11-28(12-10-18)25(31)21-14-20(17(3)4)23(29)15-24(21)30/h14-19,22,27,29-30H,5-13H2,1-4H3/t22-/m1/s1
InChIKeyVLFKQONGLOBNAU-JOCHJYFZSA-N
XLogP4.32
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-4-methylpentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)pyrrolidin-3-yl]amino]-4-methylpentanoic acid
CID 121482097
tert-butyl (2S)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-3-phenylpropanoate
CID 54766503
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
(1-cyclopentyl-2-methylpropan-2-yl) (2S)-2-[2-[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]ethylamino]-3-hydroxypropanoate
CID 89497015
cyclopentyl (2R)-4-methyl-2-(pyrrolidin-3-ylamino)pentanoate;dihydrochloride
CID 89497653
(2S)-2-cyclopentyl-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-2-phenylacetic acid
CID 121482095
cyclohexyl 4-methyl-2-(methylamino)pentanoate
CID 143660468
[4-(cyclohexylamino)-1,3-dihydroisoindol-2-yl]-(2,4-dihydroxy-5-propan-2-ylphenyl)methanone
CID 58245989
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
methyl 4-methyl-2-[(1-propan-2-ylpiperidin-4-yl)amino]pentanoate
CID 43688946
(2,4-dihydroxy-5-propan-2-ylphenyl)-[5-(4-piperidin-1-ylphenyl)-1,3-dihydroisoindol-2-yl]methanone
CID 58246131
N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 51130240

Frequently Asked Questions

What is the IUPAC name of cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-4-methylpentanoate?
The IUPAC name of cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-4-methylpentanoate (CID 54766355) is cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-4-methylpentanoate.
What is the SMILES notation for cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-4-methylpentanoate?
The canonical SMILES for cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-4-methylpentanoate is CC(C)C[C@@H](NC1CCN(C(=O)c2cc(C(C)C)c(O)cc2O)CC1)C(=O)OC1CCCC1.
What is the InChIKey of cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-4-methylpentanoate?
The InChIKey is VLFKQONGLOBNAU-JOCHJYFZSA-N. The full InChI is InChI=1S/C26H40N2O5/c1-16(2)13-22(26(32)33-19-7-5-6-8-19)27-18-9-11-28(12-10-18)25(31)21-14-20(17(3)4)23(29)15-24(21)30/h14-19,22,27,29-30H,5-13H2,1-4H3/t22-/m1/s1.
What are the key properties of cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-4-methylpentanoate?
cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-4-methylpentanoate has a molecular weight of 460.62 g/mol, XLogP of 4.32, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl (2R)-2-[[1-(2,4-dihydroxy-5-propan-2-ylbenzoyl)piperidin-4-yl]amino]-4-methylpentanoate is sourced from PubChem (CID 54766355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).