1-(5-chloro-2-cyanophenyl)-N-methylpiperidine-2-carboxamide

C14H16ClN3O — CID 63094081

IUPAC1-(5-chloro-2-cyanophenyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1cc(Cl)ccc1C#N
InChIInChI=1S/C14H16ClN3O/c1-17-14(19)12-4-2-3-7-18(12)13-8-11(15)6-5-10(13)9-16/h5-6,8,12H,2-4,7H2,1H3,(H,17,19)
InChIKeyNGHWPVLGGRFAMS-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.32
Rot. Bonds2

About 1-(5-chloro-2-cyanophenyl)-N-methylpiperidine-2-carboxamide

1-(5-chloro-2-cyanophenyl)-N-methylpiperidine-2-carboxamide (PubChem CID 63094081) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-(5-chloro-2-cyanophenyl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-2-cyanophenyl)-N-methylpiperidine-2-carboxamide
PubChem CID63094081
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name1-(5-chloro-2-cyanophenyl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1cc(Cl)ccc1C#N
InChIInChI=1S/C14H16ClN3O/c1-17-14(19)12-4-2-3-7-18(12)13-8-11(15)6-5-10(13)9-16/h5-6,8,12H,2-4,7H2,1H3,(H,17,19)
InChIKeyNGHWPVLGGRFAMS-UHFFFAOYSA-N
XLogP2.32
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[2-(methylcarbamoyl)piperidin-1-yl]benzoic acid
CID 114845024
ethyl 1-(5-chloro-2-cyanophenyl)piperidine-2-carboxylate
CID 63093053
1-(4-amino-2-cyanophenyl)-N-methylpiperidine-2-carboxamide
CID 54985330
5-chloro-2-[2-(methylcarbamoyl)pyrrolidin-1-yl]benzoic acid
CID 55010109
1-(4-chloro-2-cyanophenyl)azepane-2-carboxylic acid
CID 64563921
1-(4-amino-3-cyanophenyl)-N-methylpiperidine-2-carboxamide
CID 115499282
1-(2-bromo-4-cyanophenyl)-N-methylpiperidine-2-carboxamide
CID 82797388
1-(4-cyanopyridazin-3-yl)-N-methylpiperidine-2-carboxamide
CID 80510373
methyl 1-(2-cyano-5-methylphenyl)piperidine-2-carboxylate
CID 115534548
1-(3-chloro-4-cyano-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 107057278
1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-2-carboxamide
CID 63371196
1-(2-bromo-4-cyanophenyl)-N-methylpyrrolidine-2-carboxamide
CID 82797077

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-cyanophenyl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(5-chloro-2-cyanophenyl)-N-methylpiperidine-2-carboxamide (CID 63094081) is 1-(5-chloro-2-cyanophenyl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(5-chloro-2-cyanophenyl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(5-chloro-2-cyanophenyl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1c1cc(Cl)ccc1C#N.
What is the InChIKey of 1-(5-chloro-2-cyanophenyl)-N-methylpiperidine-2-carboxamide?
The InChIKey is NGHWPVLGGRFAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-17-14(19)12-4-2-3-7-18(12)13-8-11(15)6-5-10(13)9-16/h5-6,8,12H,2-4,7H2,1H3,(H,17,19).
What are the key properties of 1-(5-chloro-2-cyanophenyl)-N-methylpiperidine-2-carboxamide?
1-(5-chloro-2-cyanophenyl)-N-methylpiperidine-2-carboxamide has a molecular weight of 277.75 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-cyanophenyl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 63094081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).