N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide

C14H19ClN2O — CID 63130190

IUPACN-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NCc2cccc(Cl)c2)CCCNC1
InChIInChI=1S/C14H19ClN2O/c1-14(6-3-7-16-10-14)13(18)17-9-11-4-2-5-12(15)8-11/h2,4-5,8,16H,3,6-7,9-10H2,1H3,(H,17,18)
InChIKeyXMJOGRQBNXEWAN-UHFFFAOYSA-N
MW266.77 g/mol
LogP2.35
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide

N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide (PubChem CID 63130190) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide
PubChem CID63130190
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC NameN-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide
SMILESCC1(C(=O)NCc2cccc(Cl)c2)CCCNC1
InChIInChI=1S/C14H19ClN2O/c1-14(6-3-7-16-10-14)13(18)17-9-11-4-2-5-12(15)8-11/h2,4-5,8,16H,3,6-7,9-10H2,1H3,(H,17,18)
InChIKeyXMJOGRQBNXEWAN-UHFFFAOYSA-N
XLogP2.35
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(hydroxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 103822034
3-methyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119944291
N-[[3-(methoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 63131521
N-[(4-hydroxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 113357142
(2S)-N-[(3-chlorophenyl)methyl]-2-methylmorpholine-2-carboxamide
CID 124983793
(2R)-N-[(3-chlorophenyl)methyl]-2-methylmorpholine-2-carboxamide
CID 124983792
N-(3-chlorophenyl)-3-methylpiperidine-3-carboxamide
CID 63132655
N-[(3-chloro-4-fluorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119707914
N-[(4-acetamidophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 63134873
3-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]piperidine-3-carboxamide
CID 119944132
N-[(3-carbamoylphenyl)methyl]-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119719922
N-[(3-chlorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127551

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide (CID 63130190) is N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide is CC1(C(=O)NCc2cccc(Cl)c2)CCCNC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide?
The InChIKey is XMJOGRQBNXEWAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-14(6-3-7-16-10-14)13(18)17-9-11-4-2-5-12(15)8-11/h2,4-5,8,16H,3,6-7,9-10H2,1H3,(H,17,18).
What are the key properties of N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide has a molecular weight of 266.77 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-3-methylpiperidine-3-carboxamide is sourced from PubChem (CID 63130190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).