N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide

C16H23ClN2O — CID 110675399

IUPACN-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(C)Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O/c1-12-7-9-19(10-8-12)16(20)18-13(2)11-14-5-3-4-6-15(14)17/h3-6,12-13H,7-11H2,1-2H3,(H,18,20)
InChIKeySFUWTPWUHFQVKK-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.71
Rot. Bonds3

About N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide

N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide (PubChem CID 110675399) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide
PubChem CID110675399
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)NC(C)Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H23ClN2O/c1-12-7-9-19(10-8-12)16(20)18-13(2)11-14-5-3-4-6-15(14)17/h3-6,12-13H,7-11H2,1-2H3,(H,18,20)
InChIKeySFUWTPWUHFQVKK-UHFFFAOYSA-N
XLogP3.71
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2-chlorophenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 110675397
4-acetyl-N-[1-(2-chlorophenyl)propan-2-yl]piperazine-1-carboxamide
CID 110675407
ethyl 4-[1-(2-chlorophenyl)propan-2-ylcarbamoyl]piperazine-1-carboxylate
CID 110675422
N-[1-(2-chlorophenyl)propan-2-yl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 110675424
N-[1-(2-chlorophenyl)propan-2-yl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 110675417
N-[1-(2-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine
CID 43677397
1-N-[1-(2-methoxyphenyl)propan-2-yl]piperidine-1,4-dicarboxamide
CID 56798078
N-[(2S)-1-hydroxypropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 79159288
2-[(2-chlorophenyl)methylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 108997960
4-[2-(2-chlorophenyl)acetyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 47079935
(2S)-N-[(2-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)propanamide
CID 9444015
(3R)-N-[(2R)-1-(2,6-dichlorophenyl)propan-2-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 97328185

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide (CID 110675399) is N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)NC(C)Cc2ccccc2Cl)CC1.
What is the InChIKey of N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide?
The InChIKey is SFUWTPWUHFQVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12-7-9-19(10-8-12)16(20)18-13(2)11-14-5-3-4-6-15(14)17/h3-6,12-13H,7-11H2,1-2H3,(H,18,20).
What are the key properties of N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide?
N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)propan-2-yl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 110675399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).