N-(3-acetylphenyl)-4-prop-2-enylpiperazine-1-carboxamide

C16H21N3O2 — CID 113103601

IUPACN-(3-acetylphenyl)-4-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCN1CCN(C(=O)Nc2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C16H21N3O2/c1-3-7-18-8-10-19(11-9-18)16(21)17-15-6-4-5-14(12-15)13(2)20/h3-6,12H,1,7-11H2,2H3,(H,17,21)
InChIKeySYTSSXDNXZPQBB-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.22
Rot. Bonds4

About N-(3-acetylphenyl)-4-prop-2-enylpiperazine-1-carboxamide

N-(3-acetylphenyl)-4-prop-2-enylpiperazine-1-carboxamide (PubChem CID 113103601) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(3-acetylphenyl)-4-prop-2-enylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-4-prop-2-enylpiperazine-1-carboxamide
PubChem CID113103601
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(3-acetylphenyl)-4-prop-2-enylpiperazine-1-carboxamide
SMILESC=CCN1CCN(C(=O)Nc2cccc(C(C)=O)c2)CC1
InChIInChI=1S/C16H21N3O2/c1-3-7-18-8-10-19(11-9-18)16(21)17-15-6-4-5-14(12-15)13(2)20/h3-6,12H,1,7-11H2,2H3,(H,17,21)
InChIKeySYTSSXDNXZPQBB-UHFFFAOYSA-N
XLogP2.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.22
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

N-phenyl-4-prop-2-enylpiperazine-1-carboxamide
CID 23822231
N-(3-acetylphenyl)-4-ethylsulfonylpiperazine-1-carboxamide
CID 51102257
N-(3,4-dimethoxyphenyl)-4-prop-2-enylpiperazine-1-carboxamide
CID 77230279
N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide
CID 2955113
N-(3-acetylphenyl)-4-ethyl-4-methylpiperidine-1-carboxamide
CID 62734496
N-(3-acetylphenyl)-4-(3,5-dimethoxybenzoyl)piperazine-1-carboxamide
CID 55696947
N-(3-acetylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109787
N-(3-acetamidophenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 113104003
N-[2-(3-acetylanilino)-2-oxoethyl]-4-benzylpiperazine-1-carboxamide
CID 51043444
N-(3-acetylphenyl)-2-(prop-2-enylamino)acetamide
CID 78908291
N-(3-acetylphenyl)-3-hydroxy-4-methylpiperidine-1-carboxamide
CID 103896288
N-(3-acetylphenyl)-3-(2-hydroxyethyl)pyrrolidine-1-carboxamide
CID 115647557

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-4-prop-2-enylpiperazine-1-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-4-prop-2-enylpiperazine-1-carboxamide (CID 113103601) is N-(3-acetylphenyl)-4-prop-2-enylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-4-prop-2-enylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-4-prop-2-enylpiperazine-1-carboxamide is C=CCN1CCN(C(=O)Nc2cccc(C(C)=O)c2)CC1.
What is the InChIKey of N-(3-acetylphenyl)-4-prop-2-enylpiperazine-1-carboxamide?
The InChIKey is SYTSSXDNXZPQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-7-18-8-10-19(11-9-18)16(21)17-15-6-4-5-14(12-15)13(2)20/h3-6,12H,1,7-11H2,2H3,(H,17,21).
What are the key properties of N-(3-acetylphenyl)-4-prop-2-enylpiperazine-1-carboxamide?
N-(3-acetylphenyl)-4-prop-2-enylpiperazine-1-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-4-prop-2-enylpiperazine-1-carboxamide is sourced from PubChem (CID 113103601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).