N-methyl-N-(3-phenylprop-2-enoyl)piperazine-1-carboxamide

C15H19N3O2 — CID 118026213

IUPACN-methyl-N-(3-phenylprop-2-enoyl)piperazine-1-carboxamide
SMILESCN(C(=O)C=Cc1ccccc1)C(=O)N1CCNCC1
InChIInChI=1S/C15H19N3O2/c1-17(15(20)18-11-9-16-10-12-18)14(19)8-7-13-5-3-2-4-6-13/h2-8,16H,9-12H2,1H3
InChIKeyWGKYPFSMOQCIKL-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.18
Rot. Bonds2

About N-methyl-N-(3-phenylprop-2-enoyl)piperazine-1-carboxamide

N-methyl-N-(3-phenylprop-2-enoyl)piperazine-1-carboxamide (PubChem CID 118026213) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-methyl-N-(3-phenylprop-2-enoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-phenylprop-2-enoyl)piperazine-1-carboxamide
PubChem CID118026213
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-methyl-N-(3-phenylprop-2-enoyl)piperazine-1-carboxamide
SMILESCN(C(=O)C=Cc1ccccc1)C(=O)N1CCNCC1
InChIInChI=1S/C15H19N3O2/c1-17(15(20)18-11-9-16-10-12-18)14(19)8-7-13-5-3-2-4-6-13/h2-8,16H,9-12H2,1H3
InChIKeyWGKYPFSMOQCIKL-UHFFFAOYSA-N
XLogP1.18
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(2-oxoethyl)-N-[(E)-3-phenylprop-2-enoyl]pyrrolidine-1-carboxamide
CID 173273840
N-ethyl-N-[(E)-3-phenylprop-2-enoyl]piperidine-1-carboxamide
CID 70157803
(2E,4E)-4-methyl-5-phenyl-1-piperazin-1-ylpenta-2,4-dien-1-one
CID 39256784
N-methyl-3-phenyl-N-(2-pyrrol-1-ylacetyl)prop-2-enamide
CID 57096275
(E)-N-(dimethylcarbamoyl)-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273669
N,N-dihydroxy-3-phenylprop-2-enamide
CID 141104282
2-[methyl(1-phenylethyl)amino]-1-piperazin-1-ylethanone
CID 61018802
tert-butyl N-phenyl-N-(piperazine-1-carbonyl)carbamate
CID 91520427
(E)-N-[1-(2-hydroxyphenyl)ethyl]-N-methyl-3-phenylprop-2-enamide
CID 61044170
N-fluoro-3-phenyl-N-propan-2-ylprop-2-enamide
CID 54163690
(E)-N-acetyl-N-(2-oxoethyl)-3-phenylprop-2-enamide
CID 173273810
2-(N-phenylanilino)-1-piperazin-1-ylpropan-1-one
CID 10470597

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-phenylprop-2-enoyl)piperazine-1-carboxamide?
The IUPAC name of N-methyl-N-(3-phenylprop-2-enoyl)piperazine-1-carboxamide (CID 118026213) is N-methyl-N-(3-phenylprop-2-enoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-methyl-N-(3-phenylprop-2-enoyl)piperazine-1-carboxamide?
The canonical SMILES for N-methyl-N-(3-phenylprop-2-enoyl)piperazine-1-carboxamide is CN(C(=O)C=Cc1ccccc1)C(=O)N1CCNCC1.
What is the InChIKey of N-methyl-N-(3-phenylprop-2-enoyl)piperazine-1-carboxamide?
The InChIKey is WGKYPFSMOQCIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17(15(20)18-11-9-16-10-12-18)14(19)8-7-13-5-3-2-4-6-13/h2-8,16H,9-12H2,1H3.
What are the key properties of N-methyl-N-(3-phenylprop-2-enoyl)piperazine-1-carboxamide?
N-methyl-N-(3-phenylprop-2-enoyl)piperazine-1-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-phenylprop-2-enoyl)piperazine-1-carboxamide is sourced from PubChem (CID 118026213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).