N-(4-carbamoyl-3-chlorophenyl)-4-cyanopiperidine-1-carboxamide

C14H15ClN4O2 — CID 118774921

IUPACN-(4-carbamoyl-3-chlorophenyl)-4-cyanopiperidine-1-carboxamide
SMILESN#CC1CCN(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1
InChIInChI=1S/C14H15ClN4O2/c15-12-7-10(1-2-11(12)13(17)20)18-14(21)19-5-3-9(8-16)4-6-19/h1-2,7,9H,3-6H2,(H2,17,20)(H,18,21)
InChIKeyUZDJWONJNWAEPC-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.21
Rot. Bonds2

About N-(4-carbamoyl-3-chlorophenyl)-4-cyanopiperidine-1-carboxamide

N-(4-carbamoyl-3-chlorophenyl)-4-cyanopiperidine-1-carboxamide (PubChem CID 118774921) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is N-(4-carbamoyl-3-chlorophenyl)-4-cyanopiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyl-3-chlorophenyl)-4-cyanopiperidine-1-carboxamide
PubChem CID118774921
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC NameN-(4-carbamoyl-3-chlorophenyl)-4-cyanopiperidine-1-carboxamide
SMILESN#CC1CCN(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1
InChIInChI=1S/C14H15ClN4O2/c15-12-7-10(1-2-11(12)13(17)20)18-14(21)19-5-3-9(8-16)4-6-19/h1-2,7,9H,3-6H2,(H2,17,20)(H,18,21)
InChIKeyUZDJWONJNWAEPC-UHFFFAOYSA-N
XLogP2.21
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chlorophenyl)-4-cyanopiperidine-1-carboxamide
CID 60969957
N-[4-chloro-3-(difluoromethoxy)phenyl]-4-cyanopiperidine-1-carboxamide
CID 84599160
N-(4-carbamoyl-3-chlorophenyl)-4-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 118781188
4-cyano-N-(3-nitrophenyl)piperidine-1-carboxamide
CID 60971014
4-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-2-chlorobenzamide
CID 79510866
2-chloro-4-(cyclopentylamino)benzamide
CID 43736418
N-(4-carbamoyl-3-methylphenyl)-4-(4-propan-2-ylpiperazin-1-yl)piperidine-1-carboxamide
CID 146075404
4-(cyanomethyl)-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 60971116
N-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide
CID 47197271
4-amino-N-(3-chloro-4-methylphenyl)-3-ethylpiperidine-1-carboxamide
CID 81458427
(4S)-4-amino-N-(3-chloro-4-fluorophenyl)azepane-1-carboxamide
CID 95711738
4-cyano-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]piperidine-1-carboxamide
CID 95284112

Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyl-3-chlorophenyl)-4-cyanopiperidine-1-carboxamide?
The IUPAC name of N-(4-carbamoyl-3-chlorophenyl)-4-cyanopiperidine-1-carboxamide (CID 118774921) is N-(4-carbamoyl-3-chlorophenyl)-4-cyanopiperidine-1-carboxamide.
What is the SMILES notation for N-(4-carbamoyl-3-chlorophenyl)-4-cyanopiperidine-1-carboxamide?
The canonical SMILES for N-(4-carbamoyl-3-chlorophenyl)-4-cyanopiperidine-1-carboxamide is N#CC1CCN(C(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1.
What is the InChIKey of N-(4-carbamoyl-3-chlorophenyl)-4-cyanopiperidine-1-carboxamide?
The InChIKey is UZDJWONJNWAEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c15-12-7-10(1-2-11(12)13(17)20)18-14(21)19-5-3-9(8-16)4-6-19/h1-2,7,9H,3-6H2,(H2,17,20)(H,18,21).
What are the key properties of N-(4-carbamoyl-3-chlorophenyl)-4-cyanopiperidine-1-carboxamide?
N-(4-carbamoyl-3-chlorophenyl)-4-cyanopiperidine-1-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyl-3-chlorophenyl)-4-cyanopiperidine-1-carboxamide is sourced from PubChem (CID 118774921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).