N-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxamide

C16H23ClN2O — CID 104596194

IUPACN-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxamide
SMILESCCC(NC(=O)C1(C)CCCCN1)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-3-14(12-7-6-8-13(17)11-12)19-15(20)16(2)9-4-5-10-18-16/h6-8,11,14,18H,3-5,9-10H2,1-2H3,(H,19,20)
InChIKeyPCUAZAZEWDQYDB-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.44
Rot. Bonds4

About N-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxamide

N-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxamide (PubChem CID 104596194) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxamide
PubChem CID104596194
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxamide
SMILESCCC(NC(=O)C1(C)CCCCN1)c1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-3-14(12-7-6-8-13(17)11-12)19-15(20)16(2)9-4-5-10-18-16/h6-8,11,14,18H,3-5,9-10H2,1-2H3,(H,19,20)
InChIKeyPCUAZAZEWDQYDB-UHFFFAOYSA-N
XLogP3.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)propyl]-2-propylpyrrolidine-2-carboxamide
CID 106974342
N-[1-(3-chlorophenyl)propyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106979821
2-(1-aminocyclopentyl)-N-[1-(3-chlorophenyl)propyl]acetamide
CID 64683806
2-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]piperidine-2-carboxamide
CID 104597062
N-(3-hydroxy-1-phenylpropyl)-2-methylpyrrolidine-2-carboxamide;hydrochloride
CID 110012103
(3-chlorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 116580557
1-[1-(3-chlorophenyl)propyl]-3-(2-hydroxyethyl)urea
CID 110894209
methyl 2-[(2-methylpiperidine-2-carbonyl)amino]-2-phenylacetate
CID 104596729
3-[(2-methylpiperidine-2-carbonyl)amino]-3-thiophen-2-ylpropanoic acid
CID 104596315
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 107863134
N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368554
3-[1-(3-chlorophenyl)propylamino]-N-propan-2-ylpropanamide
CID 115667904

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxamide (CID 104596194) is N-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxamide is CCC(NC(=O)C1(C)CCCCN1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxamide?
The InChIKey is PCUAZAZEWDQYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-14(12-7-6-8-13(17)11-12)19-15(20)16(2)9-4-5-10-18-16/h6-8,11,14,18H,3-5,9-10H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxamide?
N-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 104596194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).