N-[(1R)-1-(3-chlorophenyl)ethyl]-4-hydroxy-4-methylpiperidine-1-carboxamide

C15H21ClN2O2 — CID 119049218

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC(C)(O)CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-11(12-4-3-5-13(16)10-12)17-14(19)18-8-6-15(2,20)7-9-18/h3-5,10-11,20H,6-9H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyDADIMIDZKAGFCR-LLVKDONJSA-N
MW296.80 g/mol
LogP2.96
Rot. Bonds2

About N-[(1R)-1-(3-chlorophenyl)ethyl]-4-hydroxy-4-methylpiperidine-1-carboxamide

N-[(1R)-1-(3-chlorophenyl)ethyl]-4-hydroxy-4-methylpiperidine-1-carboxamide (PubChem CID 119049218) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-4-hydroxy-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
PubChem CID119049218
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCC(C)(O)CC1)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-11(12-4-3-5-13(16)10-12)17-14(19)18-8-6-15(2,20)7-9-18/h3-5,10-11,20H,6-9H2,1-2H3,(H,17,19)/t11-/m1/s1
InChIKeyDADIMIDZKAGFCR-LLVKDONJSA-N
XLogP2.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chlorophenyl)-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 23071915
N-[1-(3-chlorophenyl)ethyl]-4-(2-pyrazin-2-ylethyl)piperazine-1-carboxamide
CID 154780669
4-(3-chlorophenyl)-N-[(1S)-1-pyridin-4-ylethyl]piperazine-1-carboxamide
CID 33433718
4-(3-chlorophenyl)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]piperazine-1-carboxamide
CID 25336780
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 96981455
2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 3764710
1-[1-(3-chlorophenyl)ethyl]-3-methylurea
CID 47127326
2-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide
CID 8904150
1-[1-(3-chlorophenyl)ethyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111437923
N-[(1R)-1-(3-chlorophenyl)propyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 94081987
1-(aminomethyl)-N-[(1S)-1-(3-chlorophenyl)ethyl]cyclopropane-1-carboxamide
CID 113313018
4-(3-chlorophenyl)sulfonyl-N-[(1R)-1-pyridin-3-ylethyl]piperazine-1-carboxamide
CID 41287111

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-4-hydroxy-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-4-hydroxy-4-methylpiperidine-1-carboxamide (CID 119049218) is N-[(1R)-1-(3-chlorophenyl)ethyl]-4-hydroxy-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-4-hydroxy-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-4-hydroxy-4-methylpiperidine-1-carboxamide is C[C@@H](NC(=O)N1CCC(C)(O)CC1)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-4-hydroxy-4-methylpiperidine-1-carboxamide?
The InChIKey is DADIMIDZKAGFCR-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11(12-4-3-5-13(16)10-12)17-14(19)18-8-6-15(2,20)7-9-18/h3-5,10-11,20H,6-9H2,1-2H3,(H,17,19)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-4-hydroxy-4-methylpiperidine-1-carboxamide?
N-[(1R)-1-(3-chlorophenyl)ethyl]-4-hydroxy-4-methylpiperidine-1-carboxamide has a molecular weight of 296.80 g/mol, XLogP of 2.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-4-hydroxy-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 119049218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).