(2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxypropanamide

C21H29N3O4 — CID 10200231

IUPAC(2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxypropanamide
SMILESCOc1ccc(C2(C#N)CCN([C@@H](C)C(=O)NO)CC2)cc1OC1CCCC1
InChIInChI=1S/C21H29N3O4/c1-15(20(25)23-26)24-11-9-21(14-22,10-12-24)16-7-8-18(27-2)19(13-16)28-17-5-3-4-6-17/h7-8,13,15,17,26H,3-6,9-12H2,1-2H3,(H,23,25)/t15-/m0/s1
InChIKeyNSYYFQMQNAQQGB-HNNXBMFYSA-N
MW387.48 g/mol
LogP2.77
Rot. Bonds6

About (2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxypropanamide

(2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxypropanamide (PubChem CID 10200231) has the molecular formula C21H29N3O4 and a molecular weight of 387.48 g/mol. Its IUPAC name is (2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxypropanamide
PubChem CID10200231
Molecular FormulaC21H29N3O4
Molecular Weight387.48 g/mol
Exact Mass387.22
IUPAC Name(2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxypropanamide
SMILESCOc1ccc(C2(C#N)CCN([C@@H](C)C(=O)NO)CC2)cc1OC1CCCC1
InChIInChI=1S/C21H29N3O4/c1-15(20(25)23-26)24-11-9-21(14-22,10-12-24)16-7-8-18(27-2)19(13-16)28-17-5-3-4-6-17/h7-8,13,15,17,26H,3-6,9-12H2,1-2H3,(H,23,25)/t15-/m0/s1
InChIKeyNSYYFQMQNAQQGB-HNNXBMFYSA-N
XLogP2.77
TPSA94.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxypropanamide 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

(2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]propanoic acid
CID 10156136
1-(3-cyclopentyloxy-4-methoxyphenyl)cyclopentane-1-carbonitrile
CID 154535456
1-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]-1-hydroxyurea
CID 19973121
2-[4-(3-cyclopentyloxy-4-ethoxyphenyl)-4-isocyanopiperidin-1-yl]-N-hydroxypropanamide
CID 21056822
N-[(1R,3S)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]acetamide
CID 18663795
methyl 1-amino-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carboxylate
CID 56978038
methyl N-[(1R,3R)-3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]-N-methylcarbamate
CID 18663793
methyl N-[3-cyano-3-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexyl]-N-methylcarbamate
CID 23223660
methyl 4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylcyclohexene-1-carboxylate
CID 152635732
5-cyano-5-(3-cyclobutyloxy-4-methoxyphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pentalene-2-carboxylic acid
CID 73081210
4-[3-cyclopentyloxy-4-(difluoromethoxy)phenyl]-1-hydroxypiperidine-4-carbonitrile
CID 142272324
4-(2-cyanoethyl)-1-(3-cyclopentyloxy-4-methoxyphenyl)cyclohexane-1-carbonitrile
CID 173301626

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxypropanamide?
The IUPAC name of (2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxypropanamide (CID 10200231) is (2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxypropanamide.
What is the SMILES notation for (2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxypropanamide?
The canonical SMILES for (2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxypropanamide is COc1ccc(C2(C#N)CCN([C@@H](C)C(=O)NO)CC2)cc1OC1CCCC1.
What is the InChIKey of (2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxypropanamide?
The InChIKey is NSYYFQMQNAQQGB-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H29N3O4/c1-15(20(25)23-26)24-11-9-21(14-22,10-12-24)16-7-8-18(27-2)19(13-16)28-17-5-3-4-6-17/h7-8,13,15,17,26H,3-6,9-12H2,1-2H3,(H,23,25)/t15-/m0/s1.
What are the key properties of (2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxypropanamide?
(2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxypropanamide has a molecular weight of 387.48 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-cyano-4-(3-cyclopentyloxy-4-methoxyphenyl)piperidin-1-yl]-N-hydroxypropanamide is sourced from PubChem (CID 10200231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).