1-(4-chloro-2-cyanophenyl)-N-propylpiperidine-3-carboxamide

C16H20ClN3O — CID 133286024

IUPAC1-(4-chloro-2-cyanophenyl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2ccc(Cl)cc2C#N)C1
InChIInChI=1S/C16H20ClN3O/c1-2-7-19-16(21)12-4-3-8-20(11-12)15-6-5-14(17)9-13(15)10-18/h5-6,9,12H,2-4,7-8,11H2,1H3,(H,19,21)
InChIKeyCRQJULWPZYOCEP-UHFFFAOYSA-N
MW305.81 g/mol
LogP2.95
Rot. Bonds4

About 1-(4-chloro-2-cyanophenyl)-N-propylpiperidine-3-carboxamide

1-(4-chloro-2-cyanophenyl)-N-propylpiperidine-3-carboxamide (PubChem CID 133286024) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-(4-chloro-2-cyanophenyl)-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-2-cyanophenyl)-N-propylpiperidine-3-carboxamide
PubChem CID133286024
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name1-(4-chloro-2-cyanophenyl)-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)C1CCCN(c2ccc(Cl)cc2C#N)C1
InChIInChI=1S/C16H20ClN3O/c1-2-7-19-16(21)12-4-3-8-20(11-12)15-6-5-14(17)9-13(15)10-18/h5-6,9,12H,2-4,7-8,11H2,1H3,(H,19,21)
InChIKeyCRQJULWPZYOCEP-UHFFFAOYSA-N
XLogP2.95
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(2,4-dichlorophenyl)methyl]-N-propylpiperidine-3-carboxamide
CID 93492122
1-[2-cyano-4-(trifluoromethyl)phenyl]-N-propylpiperidine-4-carboxamide
CID 133373440
1-[4-chloro-2-(hydroxymethyl)phenyl]-N-methylpiperidine-3-carboxamide
CID 103196768
1-(4-bromo-2-cyanophenyl)-N-methylpiperidine-3-carboxamide
CID 103721853
N-[1-(4-chloro-2-cyanophenyl)pyrrolidin-3-yl]acetamide
CID 113402290
5-chloro-2-(4-ethylpiperidin-1-yl)benzonitrile
CID 55078571
N-(2-aminoethyl)-1-(3-cyano-6-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 63253194
1-[2-(2,4-dichlorophenoxy)acetyl]-N-propylpiperidine-3-carboxamide
CID 49403003
(3R)-1-(3-chloro-5-cyano-2-pyridinyl)-N-ethylpiperidine-3-carboxamide
CID 95286679
5-chloro-2-[3-(diethylamino)pyrrolidin-1-yl]benzonitrile
CID 63510514
5-chloro-2-(3-hydroxypyrrolidin-1-yl)benzonitrile
CID 62918333
5-chloro-2-[(3S,4R)-3-hydroxy-4-methylpiperidin-1-yl]benzonitrile
CID 125183701

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-cyanophenyl)-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-chloro-2-cyanophenyl)-N-propylpiperidine-3-carboxamide (CID 133286024) is 1-(4-chloro-2-cyanophenyl)-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-2-cyanophenyl)-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-chloro-2-cyanophenyl)-N-propylpiperidine-3-carboxamide is CCCNC(=O)C1CCCN(c2ccc(Cl)cc2C#N)C1.
What is the InChIKey of 1-(4-chloro-2-cyanophenyl)-N-propylpiperidine-3-carboxamide?
The InChIKey is CRQJULWPZYOCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c1-2-7-19-16(21)12-4-3-8-20(11-12)15-6-5-14(17)9-13(15)10-18/h5-6,9,12H,2-4,7-8,11H2,1H3,(H,19,21).
What are the key properties of 1-(4-chloro-2-cyanophenyl)-N-propylpiperidine-3-carboxamide?
1-(4-chloro-2-cyanophenyl)-N-propylpiperidine-3-carboxamide has a molecular weight of 305.81 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-cyanophenyl)-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 133286024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).