N-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide

C15H18ClN3O — CID 47197599

IUPACN-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide
SMILESCCC1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1
InChIInChI=1S/C15H18ClN3O/c1-2-11-4-3-7-19(10-11)15(20)18-13-6-5-12(9-17)14(16)8-13/h5-6,8,11H,2-4,7,10H2,1H3,(H,18,20)
InChIKeyPUKBEGYWHXCLJQ-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.87
Rot. Bonds2

About N-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide

N-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide (PubChem CID 47197599) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide
PubChem CID47197599
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide
SMILESCCC1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1
InChIInChI=1S/C15H18ClN3O/c1-2-11-4-3-7-19(10-11)15(20)18-13-6-5-12(9-17)14(16)8-13/h5-6,8,11H,2-4,7,10H2,1H3,(H,18,20)
InChIKeyPUKBEGYWHXCLJQ-UHFFFAOYSA-N
XLogP3.87
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-cyanophenyl)-3-methylpiperidine-1-carboxamide
CID 47197271
N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 71991819
N-(3,4-dichlorophenyl)-3-(2-hydroxyethyl)piperidine-1-carboxamide
CID 62356957
(3R)-N-(3-cyano-4-ethoxyphenyl)-3-(3-methoxypropyl)piperidine-1-carboxamide
CID 97455461
3-ethyl-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 47177019
(2S)-N-(3-chloro-4-cyanophenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide
CID 95344481
2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345636
methyl 2-chloro-4-[[(3S)-3-(methylsulfanylmethyl)piperidine-1-carbonyl]amino]benzoate
CID 97274178
N-(3-chloro-4-cyanophenyl)-2-(cyclopropylmethylamino)acetamide
CID 54924873
5-[(3-ethylpiperidine-1-carbonyl)amino]pyridine-3-carboxylic acid
CID 63157800
1-[(3-chloro-4-cyanophenyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781746
2-chloro-4-(3-ethylpiperidin-1-yl)sulfonylbenzonitrile
CID 47206307

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide (CID 47197599) is N-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide is CCC1CCCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide?
The InChIKey is PUKBEGYWHXCLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-2-11-4-3-7-19(10-11)15(20)18-13-6-5-12(9-17)14(16)8-13/h5-6,8,11H,2-4,7,10H2,1H3,(H,18,20).
What are the key properties of N-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide?
N-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide has a molecular weight of 291.78 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 47197599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).