N-[(E)-2-cyclopropylprop-1-enyl]-4-phenylpiperazine-1-carboxamide

C17H23N3O — CID 108915581

IUPACN-[(E)-2-cyclopropylprop-1-enyl]-4-phenylpiperazine-1-carboxamide
SMILESC/C(=C\NC(=O)N1CCN(c2ccccc2)CC1)C1CC1
InChIInChI=1S/C17H23N3O/c1-14(15-7-8-15)13-18-17(21)20-11-9-19(10-12-20)16-5-3-2-4-6-16/h2-6,13,15H,7-12H2,1H3,(H,18,21)/b14-13+
InChIKeyKKIFOKONURQJIU-BUHFOSPRSA-N
MW285.39 g/mol
LogP2.83
Rot. Bonds3

About N-[(E)-2-cyclopropylprop-1-enyl]-4-phenylpiperazine-1-carboxamide

N-[(E)-2-cyclopropylprop-1-enyl]-4-phenylpiperazine-1-carboxamide (PubChem CID 108915581) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(E)-2-cyclopropylprop-1-enyl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-2-cyclopropylprop-1-enyl]-4-phenylpiperazine-1-carboxamide
PubChem CID108915581
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(E)-2-cyclopropylprop-1-enyl]-4-phenylpiperazine-1-carboxamide
SMILESC/C(=C\NC(=O)N1CCN(c2ccccc2)CC1)C1CC1
InChIInChI=1S/C17H23N3O/c1-14(15-7-8-15)13-18-17(21)20-11-9-19(10-12-20)16-5-3-2-4-6-16/h2-6,13,15H,7-12H2,1H3,(H,18,21)/b14-13+
InChIKeyKKIFOKONURQJIU-BUHFOSPRSA-N
XLogP2.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(E)-2-cyclopropylprop-1-enyl]-4-methylpiperazine-1-carboxamide
CID 108915415
N-[(E)-2-cyclopentylprop-1-enyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108914108
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-[(E)-2-cyclopentylprop-1-enyl]-4-methylpiperidine-1-carboxamide
CID 108913842
N-[(E)-2,3-dimethylbut-1-enyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108914650
4-phenyl-N-propylpiperazine-1-carboxamide
CID 4597533
N-(1-ethylazepan-3-yl)-4-phenylpiperazine-1-carboxamide
CID 15636959
1-[(E)-2-cyclopentylprop-1-enyl]-3-phenylurea
CID 108913957
ethane;(1-methylpiperidin-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 171069680
N-(1-ethylpyrrolidin-3-yl)-4-phenylpiperazine-1-carboxamide
CID 15636958
methyl 4-(4-phenylpiperazine-1-carbonyl)piperidine-1-carboxylate
CID 110754124
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829787

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-cyclopropylprop-1-enyl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[(E)-2-cyclopropylprop-1-enyl]-4-phenylpiperazine-1-carboxamide (CID 108915581) is N-[(E)-2-cyclopropylprop-1-enyl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(E)-2-cyclopropylprop-1-enyl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[(E)-2-cyclopropylprop-1-enyl]-4-phenylpiperazine-1-carboxamide is C/C(=C\NC(=O)N1CCN(c2ccccc2)CC1)C1CC1.
What is the InChIKey of N-[(E)-2-cyclopropylprop-1-enyl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is KKIFOKONURQJIU-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14(15-7-8-15)13-18-17(21)20-11-9-19(10-12-20)16-5-3-2-4-6-16/h2-6,13,15H,7-12H2,1H3,(H,18,21)/b14-13+.
What are the key properties of N-[(E)-2-cyclopropylprop-1-enyl]-4-phenylpiperazine-1-carboxamide?
N-[(E)-2-cyclopropylprop-1-enyl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-cyclopropylprop-1-enyl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 108915581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).