1-(3-chloro-4-cyanophenyl)-N,N-dimethylpiperidine-3-carboxamide

C15H18ClN3O — CID 133304205

IUPAC1-(3-chloro-4-cyanophenyl)-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(c2ccc(C#N)c(Cl)c2)C1
InChIInChI=1S/C15H18ClN3O/c1-18(2)15(20)12-4-3-7-19(10-12)13-6-5-11(9-17)14(16)8-13/h5-6,8,12H,3-4,7,10H2,1-2H3
InChIKeyNWORCWSCBPZWDK-UHFFFAOYSA-N
MW291.78 g/mol
LogP2.52
Rot. Bonds2

About 1-(3-chloro-4-cyanophenyl)-N,N-dimethylpiperidine-3-carboxamide

1-(3-chloro-4-cyanophenyl)-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 133304205) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 1-(3-chloro-4-cyanophenyl)-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-cyanophenyl)-N,N-dimethylpiperidine-3-carboxamide
PubChem CID133304205
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name1-(3-chloro-4-cyanophenyl)-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(c2ccc(C#N)c(Cl)c2)C1
InChIInChI=1S/C15H18ClN3O/c1-18(2)15(20)12-4-3-7-19(10-12)13-6-5-11(9-17)14(16)8-13/h5-6,8,12H,3-4,7,10H2,1-2H3
InChIKeyNWORCWSCBPZWDK-UHFFFAOYSA-N
XLogP2.52
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-cyanophenyl)piperidine-3-carboxylic acid
CID 62944659
1-(3-chloro-4-cyanophenyl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 75370563
(3S)-1-(3-chloro-4-cyanophenyl)-N-(2-methoxyethyl)-N-methylpiperidine-3-carboxamide
CID 97212209
tert-butyl N-[[1-(3-chloro-4-cyanophenyl)piperidin-3-yl]methyl]-N-methylcarbamate
CID 133300743
2-chloro-4-(3-hydroxypyrrolidin-1-yl)benzonitrile
CID 62945565
4-(4-acetyl-1,4-diazepan-1-yl)-2-chlorobenzonitrile
CID 62947155
1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide
CID 107275706
4-(2-acetylpiperidin-1-yl)-2-chlorobenzonitrile
CID 55256246
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide
CID 47085267
2-chloro-4-[3-(diethylamino)pyrrolidin-1-yl]benzonitrile
CID 63511005
1-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylpiperidine-3-carboxamide
CID 47473849
2-chloro-4-(3-ethylpyrrolidin-1-yl)benzonitrile
CID 112698427

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-cyanophenyl)-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-4-cyanophenyl)-N,N-dimethylpiperidine-3-carboxamide (CID 133304205) is 1-(3-chloro-4-cyanophenyl)-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-cyanophenyl)-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-4-cyanophenyl)-N,N-dimethylpiperidine-3-carboxamide is CN(C)C(=O)C1CCCN(c2ccc(C#N)c(Cl)c2)C1.
What is the InChIKey of 1-(3-chloro-4-cyanophenyl)-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is NWORCWSCBPZWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-18(2)15(20)12-4-3-7-19(10-12)13-6-5-11(9-17)14(16)8-13/h5-6,8,12H,3-4,7,10H2,1-2H3.
What are the key properties of 1-(3-chloro-4-cyanophenyl)-N,N-dimethylpiperidine-3-carboxamide?
1-(3-chloro-4-cyanophenyl)-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 291.78 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-cyanophenyl)-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 133304205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).