N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide

C16H22N4O — CID 86797484

IUPACN-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NC1CC=CC1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C16H22N4O/c21-16(18-14-5-1-2-6-14)20-11-9-19(10-12-20)13-15-7-3-4-8-17-15/h1-4,7-8,14H,5-6,9-13H2,(H,18,21)
InChIKeySJHCRVAICCBCRV-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.63
Rot. Bonds3

About N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide

N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 86797484) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
PubChem CID86797484
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NC1CC=CC1)N1CCN(Cc2ccccn2)CC1
InChIInChI=1S/C16H22N4O/c21-16(18-14-5-1-2-6-14)20-11-9-19(10-12-20)13-15-7-3-4-8-17-15/h1-4,7-8,14H,5-6,9-13H2,(H,18,21)
InChIKeySJHCRVAICCBCRV-UHFFFAOYSA-N
XLogP1.63
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(pyridin-2-ylmethyl)-N-[(3S)-2,2,5,5-tetramethyloxolan-3-yl]piperazine-1-carboxamide
CID 99715065
N-[1-(pyridin-2-ylmethyl)piperidin-3-yl]morpholine-4-carboxamide
CID 175649113
(4R)-N-cyclopent-3-en-1-yl-4-[methyl(pyridin-2-ylmethyl)amino]azepane-1-carboxamide
CID 129331309
2-(cyclopropylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 60938982
3-oxo-3-[4-(pyridin-2-ylmethyl)piperazin-1-yl]propanoic acid
CID 62230248
N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184500
N-phenylmethoxy-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86816169
N-cyclopent-3-en-1-yl-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 75523393
N-[(2R)-1-cyclopropylpropan-2-yl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 99714063
2-(methylamino)-1-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanone
CID 54869774
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]cyclopropanecarboxamide
CID 37476276
N-(3,4-dichlorophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184514

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (CID 86797484) is N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is O=C(NC1CC=CC1)N1CCN(Cc2ccccn2)CC1.
What is the InChIKey of N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
The InChIKey is SJHCRVAICCBCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c21-16(18-14-5-1-2-6-14)20-11-9-19(10-12-20)13-15-7-3-4-8-17-15/h1-4,7-8,14H,5-6,9-13H2,(H,18,21).
What are the key properties of N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?
N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 86797484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).