4-(5-cyano-2-pyridinyl)-N-(cyclopentylmethyl)piperazine-1-carboxamide

C17H23N5O — CID 47069365

IUPAC4-(5-cyano-2-pyridinyl)-N-(cyclopentylmethyl)piperazine-1-carboxamide
SMILESN#Cc1ccc(N2CCN(C(=O)NCC3CCCC3)CC2)nc1
InChIInChI=1S/C17H23N5O/c18-11-15-5-6-16(19-13-15)21-7-9-22(10-8-21)17(23)20-12-14-3-1-2-4-14/h5-6,13-14H,1-4,7-10,12H2,(H,20,23)
InChIKeyWOXZHNCTQZRJBJ-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.98
Rot. Bonds3

About 4-(5-cyano-2-pyridinyl)-N-(cyclopentylmethyl)piperazine-1-carboxamide

4-(5-cyano-2-pyridinyl)-N-(cyclopentylmethyl)piperazine-1-carboxamide (PubChem CID 47069365) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-(5-cyano-2-pyridinyl)-N-(cyclopentylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-cyano-2-pyridinyl)-N-(cyclopentylmethyl)piperazine-1-carboxamide
PubChem CID47069365
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name4-(5-cyano-2-pyridinyl)-N-(cyclopentylmethyl)piperazine-1-carboxamide
SMILESN#Cc1ccc(N2CCN(C(=O)NCC3CCCC3)CC2)nc1
InChIInChI=1S/C17H23N5O/c18-11-15-5-6-16(19-13-15)21-7-9-22(10-8-21)17(23)20-12-14-3-1-2-4-14/h5-6,13-14H,1-4,7-10,12H2,(H,20,23)
InChIKeyWOXZHNCTQZRJBJ-UHFFFAOYSA-N
XLogP1.98
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-cyano-2-pyridinyl)-N-prop-2-enylpiperazine-1-carboxamide
CID 47360080
N-butyl-4-(5-cyano-2-pyridinyl)-1,4-diazepane-1-carboxamide
CID 2747242
4-(5-cyano-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 2746537
5-cyano-N-(cyclopentylmethyl)pyridine-2-carboxamide
CID 63718941
6-[4-(1-methylpyrrolidine-2-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 133279943
N-(4-chlorophenyl)-4-(5-cyano-2-pyridinyl)piperazine-1-carboxamide
CID 2746538
6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 153358087
6-[4-[3-(oxolan-2-yl)propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 56817689
1-N-(4-cyanophenyl)-4-N-(cyclopropylmethyl)-1,4-diazepane-1,4-dicarboxamide
CID 23852889
6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 75461915
4-(5-cyano-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide
CID 142622759
6-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 171492679

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-2-pyridinyl)-N-(cyclopentylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(5-cyano-2-pyridinyl)-N-(cyclopentylmethyl)piperazine-1-carboxamide (CID 47069365) is 4-(5-cyano-2-pyridinyl)-N-(cyclopentylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-cyano-2-pyridinyl)-N-(cyclopentylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(5-cyano-2-pyridinyl)-N-(cyclopentylmethyl)piperazine-1-carboxamide is N#Cc1ccc(N2CCN(C(=O)NCC3CCCC3)CC2)nc1.
What is the InChIKey of 4-(5-cyano-2-pyridinyl)-N-(cyclopentylmethyl)piperazine-1-carboxamide?
The InChIKey is WOXZHNCTQZRJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c18-11-15-5-6-16(19-13-15)21-7-9-22(10-8-21)17(23)20-12-14-3-1-2-4-14/h5-6,13-14H,1-4,7-10,12H2,(H,20,23).
What are the key properties of 4-(5-cyano-2-pyridinyl)-N-(cyclopentylmethyl)piperazine-1-carboxamide?
4-(5-cyano-2-pyridinyl)-N-(cyclopentylmethyl)piperazine-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-2-pyridinyl)-N-(cyclopentylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 47069365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).