1-[1-(3-chloro-4-cyanophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide

C19H23ClN4O2 — CID 133297208

IUPAC1-[1-(3-chloro-4-cyanophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1Cl
InChIInChI=1S/C19H23ClN4O2/c20-17-11-16(2-1-15(17)12-21)23-7-5-14(6-8-23)19(26)24-9-3-13(4-10-24)18(22)25/h1-2,11,13-14H,3-10H2,(H2,22,25)
InChIKeyGBWKJQPZXPDYRR-UHFFFAOYSA-N
MW374.87 g/mol
LogP2.15
Rot. Bonds3

About 1-[1-(3-chloro-4-cyanophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide

1-[1-(3-chloro-4-cyanophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide (PubChem CID 133297208) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 1-[1-(3-chloro-4-cyanophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3-chloro-4-cyanophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide
PubChem CID133297208
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name1-[1-(3-chloro-4-cyanophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide
SMILESN#Cc1ccc(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1Cl
InChIInChI=1S/C19H23ClN4O2/c20-17-11-16(2-1-15(17)12-21)23-7-5-14(6-8-23)19(26)24-9-3-13(4-10-24)18(22)25/h1-2,11,13-14H,3-10H2,(H2,22,25)
InChIKeyGBWKJQPZXPDYRR-UHFFFAOYSA-N
XLogP2.15
TPSA90.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-4-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]benzonitrile
CID 133298993
2-chloro-4-(3-hydroxypyrrolidin-1-yl)benzonitrile
CID 62945565
1-(3-chloro-4-cyanophenyl)piperidine-3-carboxylic acid
CID 62944659
1-(3-chloro-4-methylphenyl)pyrrolidine-3-carboxamide
CID 117008174
4-(4-acetyl-1,4-diazepan-1-yl)-2-chlorobenzonitrile
CID 62947155
1-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2514707
1-[1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 42655789
4-(2-acetylpiperidin-1-yl)-2-chlorobenzonitrile
CID 55256246
1-(3-chloro-4-cyanophenyl)-N,N-dimethylpiperidine-3-carboxamide
CID 133304205
2-chloro-4-[(3R)-3-cyclopentyl-5-[3-(4-hydroxypiperidine-1-carbonyl)azetidin-1-yl]-3,4-dihydropyrazol-2-yl]benzonitrile
CID 56838490
1-(5-acetyl-2-cyanophenyl)pyrrolidine-3-carboxamide
CID 133443287
1-(3-bromo-4-cyanophenyl)piperidine-3-carboxamide
CID 107275706

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-chloro-4-cyanophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(3-chloro-4-cyanophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide (CID 133297208) is 1-[1-(3-chloro-4-cyanophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3-chloro-4-cyanophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3-chloro-4-cyanophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide is N#Cc1ccc(N2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)cc1Cl.
What is the InChIKey of 1-[1-(3-chloro-4-cyanophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is GBWKJQPZXPDYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c20-17-11-16(2-1-15(17)12-21)23-7-5-14(6-8-23)19(26)24-9-3-13(4-10-24)18(22)25/h1-2,11,13-14H,3-10H2,(H2,22,25).
What are the key properties of 1-[1-(3-chloro-4-cyanophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide?
1-[1-(3-chloro-4-cyanophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-chloro-4-cyanophenyl)piperidine-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 133297208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).