4-(3-cyanophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide

C18H19N5O — CID 113108801

IUPAC4-(3-cyanophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESN#Cc1cccc(N2CCN(C(=O)NCc3ccncc3)CC2)c1
InChIInChI=1S/C18H19N5O/c19-13-16-2-1-3-17(12-16)22-8-10-23(11-9-22)18(24)21-14-15-4-6-20-7-5-15/h1-7,12H,8-11,14H2,(H,21,24)
InChIKeyFQQJRUBWEWGHHW-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.99
Rot. Bonds3

About 4-(3-cyanophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide

4-(3-cyanophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide (PubChem CID 113108801) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is 4-(3-cyanophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3-cyanophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
PubChem CID113108801
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name4-(3-cyanophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
SMILESN#Cc1cccc(N2CCN(C(=O)NCc3ccncc3)CC2)c1
InChIInChI=1S/C18H19N5O/c19-13-16-2-1-3-17(12-16)22-8-10-23(11-9-22)18(24)21-14-15-4-6-20-7-5-15/h1-7,12H,8-11,14H2,(H,21,24)
InChIKeyFQQJRUBWEWGHHW-UHFFFAOYSA-N
XLogP1.99
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-bromo-4-methylphenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 113108746
N-[2-(3-chlorophenyl)ethyl]-4-(3-cyanophenyl)piperazine-1-carboxamide
CID 113111006
N-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide
CID 113104404
4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104573
2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 44998680
4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 113111248
4-acetyl-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide
CID 110706314
4-(3-cyanophenyl)-N-(3,4-difluorophenyl)piperazine-1-carboxamide
CID 113114880
N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86831395
4-(3-chlorophenyl)-N-[(2S)-1-oxo-1-(pyridin-4-ylmethylamino)propan-2-yl]piperazine-1-carboxamide
CID 52899538
methyl 4-[4-(pyridin-4-ylmethylcarbamoyl)piperazin-1-yl]benzoate
CID 113108763
4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111408

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyanophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(3-cyanophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide (CID 113108801) is 4-(3-cyanophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3-cyanophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3-cyanophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide is N#Cc1cccc(N2CCN(C(=O)NCc3ccncc3)CC2)c1.
What is the InChIKey of 4-(3-cyanophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
The InChIKey is FQQJRUBWEWGHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c19-13-16-2-1-3-17(12-16)22-8-10-23(11-9-22)18(24)21-14-15-4-6-20-7-5-15/h1-7,12H,8-11,14H2,(H,21,24).
What are the key properties of 4-(3-cyanophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide?
4-(3-cyanophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyanophenyl)-N-(pyridin-4-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 113108801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).