(3S)-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide

C21H32N2O4 — CID 95971953

IUPAC(3S)-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC[C@H](C(=O)NC[C@@H](O)COCC(C)C)C2)cc1
InChIInChI=1S/C21H32N2O4/c1-15(2)13-27-14-19(24)11-22-20(25)18-5-4-10-23(12-18)21(26)17-8-6-16(3)7-9-17/h6-9,15,18-19,24H,4-5,10-14H2,1-3H3,(H,22,25)/t18-,19+/m0/s1
InChIKeyICIPQOSHLMPBPT-RBUKOAKNSA-N
MW376.50 g/mol
LogP2.00
Rot. Bonds8

About (3S)-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide

(3S)-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 95971953) has the molecular formula C21H32N2O4 and a molecular weight of 376.50 g/mol. Its IUPAC name is (3S)-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
PubChem CID95971953
Molecular FormulaC21H32N2O4
Molecular Weight376.50 g/mol
Exact Mass376.24
IUPAC Name(3S)-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC[C@H](C(=O)NC[C@@H](O)COCC(C)C)C2)cc1
InChIInChI=1S/C21H32N2O4/c1-15(2)13-27-14-19(24)11-22-20(25)18-5-4-10-23(12-18)21(26)17-8-6-16(3)7-9-17/h6-9,15,18-19,24H,4-5,10-14H2,1-3H3,(H,22,25)/t18-,19+/m0/s1
InChIKeyICIPQOSHLMPBPT-RBUKOAKNSA-N
XLogP2.00
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-2,3-dimethylbutyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 111484130
N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 51114268
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
(2S,3S)-3-methyl-2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]pentanoic acid
CID 119193921
N-[(4-hydroxypyrrolidin-3-yl)methyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide;hydrochloride
CID 120948550
(3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide
CID 95627888
1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 46481032
(3R)-1-(4-chlorobenzoyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 26253365
2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241765
1-(4-fluorobenzoyl)-N-[2-(methylamino)propyl]piperidine-3-carboxamide;hydrochloride
CID 120831343
1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide
CID 78862407
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55660182

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide (CID 95971953) is (3S)-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide is Cc1ccc(C(=O)N2CCC[C@H](C(=O)NC[C@@H](O)COCC(C)C)C2)cc1.
What is the InChIKey of (3S)-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is ICIPQOSHLMPBPT-RBUKOAKNSA-N. The full InChI is InChI=1S/C21H32N2O4/c1-15(2)13-27-14-19(24)11-22-20(25)18-5-4-10-23(12-18)21(26)17-8-6-16(3)7-9-17/h6-9,15,18-19,24H,4-5,10-14H2,1-3H3,(H,22,25)/t18-,19+/m0/s1.
What are the key properties of (3S)-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
(3S)-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 376.50 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 95971953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).