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

C17H24N4O — CID 75523393

IUPACN-cyclopent-3-en-1-yl-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
SMILESCC(c1ccccn1)N1CCN(C(=O)NC2CC=CC2)CC1
InChIInChI=1S/C17H24N4O/c1-14(16-8-4-5-9-18-16)20-10-12-21(13-11-20)17(22)19-15-6-2-3-7-15/h2-5,8-9,14-15H,6-7,10-13H2,1H3,(H,19,22)
InChIKeyGQPMOSOLUBFLTE-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.19
Rot. Bonds3

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

N-cyclopent-3-en-1-yl-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide (PubChem CID 75523393) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
PubChem CID75523393
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-cyclopent-3-en-1-yl-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
SMILESCC(c1ccccn1)N1CCN(C(=O)NC2CC=CC2)CC1
InChIInChI=1S/C17H24N4O/c1-14(16-8-4-5-9-18-16)20-10-12-21(13-11-20)17(22)19-15-6-2-3-7-15/h2-5,8-9,14-15H,6-7,10-13H2,1H3,(H,19,22)
InChIKeyGQPMOSOLUBFLTE-UHFFFAOYSA-N
XLogP2.19
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.19
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-[(1R)-1-pyridin-2-ylethyl]-N-[(1S,2R,4R,5S)-3-tricyclo[3.2.1.02,4]octanyl]piperazine-1-carboxamide
CID 124829259
3-oxo-3-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]propanoic acid
CID 110480160
N-[(2S)-4-methylsulfanylbutan-2-yl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide
CID 97308528
N-(4-methylsulfanylbutan-2-yl)-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 75478310
N-cyclopent-3-en-1-yl-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 86797484
N-cyclopent-3-en-1-yl-4-[(1R)-1-thiophen-3-ylethyl]piperazine-1-carboxamide
CID 97308581
oxolan-2-yl-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 86844171
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-[(1S)-1-pyridin-2-ylethyl]piperazine-1-carboxamide
CID 97308542
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide
CID 84600062
(1-hydroxycyclohexyl)-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]methanone
CID 91660636
4-(1-pyridin-2-ylethyl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperazine-1-carboxamide
CID 84600185
2-[4-(1-pyridin-2-ylethyl)piperazin-1-yl]acetic acid
CID 65055730

Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclopent-3-en-1-yl-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide (CID 75523393) is N-cyclopent-3-en-1-yl-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopent-3-en-1-yl-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclopent-3-en-1-yl-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide is CC(c1ccccn1)N1CCN(C(=O)NC2CC=CC2)CC1.
What is the InChIKey of N-cyclopent-3-en-1-yl-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide?
The InChIKey is GQPMOSOLUBFLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-14(16-8-4-5-9-18-16)20-10-12-21(13-11-20)17(22)19-15-6-2-3-7-15/h2-5,8-9,14-15H,6-7,10-13H2,1H3,(H,19,22).
What are the key properties of N-cyclopent-3-en-1-yl-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide?
N-cyclopent-3-en-1-yl-4-(1-pyridin-2-ylethyl)piperazine-1-carboxamide has a molecular weight of 300.41 g/mol, XLogP of 2.19, 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-(1-pyridin-2-ylethyl)piperazine-1-carboxamide is sourced from PubChem (CID 75523393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).