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

C15H19N3O2 — CID 77102017

IUPACN-methyl-1-(3-phenylprop-2-enoyl)piperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(=O)C=Cc1ccccc1
InChIInChI=1S/C15H19N3O2/c1-16-15(20)13-11-17-9-10-18(13)14(19)8-7-12-5-3-2-4-6-12/h2-8,13,17H,9-11H2,1H3,(H,16,20)
InChIKeyCXPAAWLLSKJVKY-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.25
Rot. Bonds3

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

N-methyl-1-(3-phenylprop-2-enoyl)piperazine-2-carboxamide (PubChem CID 77102017) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-methyl-1-(3-phenylprop-2-enoyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(3-phenylprop-2-enoyl)piperazine-2-carboxamide
PubChem CID77102017
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-methyl-1-(3-phenylprop-2-enoyl)piperazine-2-carboxamide
SMILESCNC(=O)C1CNCCN1C(=O)C=Cc1ccccc1
InChIInChI=1S/C15H19N3O2/c1-16-15(20)13-11-17-9-10-18(13)14(19)8-7-12-5-3-2-4-6-12/h2-8,13,17H,9-11H2,1H3,(H,16,20)
InChIKeyCXPAAWLLSKJVKY-UHFFFAOYSA-N
XLogP0.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperazine-2-carboxamide
CID 77100908
1-[3-(4-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide
CID 71897284
1-[(E)-3-(4-aminophenyl)prop-2-enoyl]-N-methylpyrrolidine-2-carboxamide
CID 115343409
(2S)-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperazine-2-carboxamide
CID 124513931
1-acetyl-N-methylpiperazine-2-carboxamide;hydrochloride
CID 171688200
(2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 124513939
1-(3-hydroxy-2-methylbenzoyl)-N-methylpiperazine-2-carboxamide
CID 82830583
1-[3-(3-fluorophenyl)prop-2-enoyl]-N-methylpiperidine-2-carboxamide
CID 71897286
(2S)-1-[3-(4-fluorophenyl)propanoyl]-N-methylpiperazine-2-carboxamide
CID 124968608
(E)-3-(4-chlorophenyl)-1-[(2R)-2-methylpiperazin-1-yl]prop-2-en-1-one
CID 82704903
1-(3,5-dibromobenzoyl)-N-methylpiperazine-2-carboxamide
CID 107973359
1-(2-chloro-3-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 81461747

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-phenylprop-2-enoyl)piperazine-2-carboxamide?
The IUPAC name of N-methyl-1-(3-phenylprop-2-enoyl)piperazine-2-carboxamide (CID 77102017) is N-methyl-1-(3-phenylprop-2-enoyl)piperazine-2-carboxamide.
What is the SMILES notation for N-methyl-1-(3-phenylprop-2-enoyl)piperazine-2-carboxamide?
The canonical SMILES for N-methyl-1-(3-phenylprop-2-enoyl)piperazine-2-carboxamide is CNC(=O)C1CNCCN1C(=O)C=Cc1ccccc1.
What is the InChIKey of N-methyl-1-(3-phenylprop-2-enoyl)piperazine-2-carboxamide?
The InChIKey is CXPAAWLLSKJVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-16-15(20)13-11-17-9-10-18(13)14(19)8-7-12-5-3-2-4-6-12/h2-8,13,17H,9-11H2,1H3,(H,16,20).
What are the key properties of N-methyl-1-(3-phenylprop-2-enoyl)piperazine-2-carboxamide?
N-methyl-1-(3-phenylprop-2-enoyl)piperazine-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-phenylprop-2-enoyl)piperazine-2-carboxamide is sourced from PubChem (CID 77102017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).