N-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide

C14H16ClN3O — CID 114422973

IUPACN-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2cc(Cl)ccc2C#N)C1
InChIInChI=1S/C14H16ClN3O/c1-9-4-5-17-13(6-9)14(19)18-12-7-11(15)3-2-10(12)8-16/h2-3,7,9,13,17H,4-6H2,1H3,(H,18,19)
InChIKeyPNUTWDAWCHEZJY-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.54
Rot. Bonds2

About N-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide

N-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide (PubChem CID 114422973) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide
PubChem CID114422973
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC NameN-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2cc(Cl)ccc2C#N)C1
InChIInChI=1S/C14H16ClN3O/c1-9-4-5-17-13(6-9)14(19)18-12-7-11(15)3-2-10(12)8-16/h2-3,7,9,13,17H,4-6H2,1H3,(H,18,19)
InChIKeyPNUTWDAWCHEZJY-UHFFFAOYSA-N
XLogP2.54
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-cyanophenyl)-1,3-thiazolidine-4-carboxamide
CID 43702291
N-(4-cyanophenyl)-4-methylpiperidine-2-carboxamide
CID 114422665
cis-(1S,2R)-2-[(5-chloro-2-cyanophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93366184
N-(4-bromo-2,5-difluorophenyl)-4-methylpiperidine-2-carboxamide
CID 107611804
N-(5-chloro-2-pyridinyl)-4-methylpiperidine-2-carboxamide
CID 114422738
4-amino-N-(5-chloro-2-cyanophenyl)cyclopent-2-ene-1-carboxamide
CID 79211095
N-(2-chloro-3-pyridinyl)-4-methylpiperidine-2-carboxamide
CID 114423016
N-(4-iodo-2-methylphenyl)-4-methylpiperidine-2-carboxamide
CID 114423070
5-[(5-chloro-2-cyanophenyl)carbamoyl]oxolane-2-carboxylic acid
CID 102687943
methyl 3-methyl-4-[(4-methylpiperidine-2-carbonyl)amino]benzoate
CID 114423164
N-(5-chloro-2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106892899
N-(2-bromo-5-chlorophenyl)-4-ethylpiperidine-2-carboxamide
CID 114429344

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide (CID 114422973) is N-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide is CC1CCNC(C(=O)Nc2cc(Cl)ccc2C#N)C1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide?
The InChIKey is PNUTWDAWCHEZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9-4-5-17-13(6-9)14(19)18-12-7-11(15)3-2-10(12)8-16/h2-3,7,9,13,17H,4-6H2,1H3,(H,18,19).
What are the key properties of N-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide?
N-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide has a molecular weight of 277.75 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 114422973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).