4-benzoyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide

C24H29N3O2 — CID 110364709

IUPAC4-benzoyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C24H29N3O2/c1-18(2)20-11-8-12-21(17-20)24(3,4)25-23(29)27-15-13-26(14-16-27)22(28)19-9-6-5-7-10-19/h5-12,17H,1,13-16H2,2-4H3,(H,25,29)
InChIKeyXWQGJCMYACTNLO-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.12
Rot. Bonds4

About 4-benzoyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide

4-benzoyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide (PubChem CID 110364709) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-benzoyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
PubChem CID110364709
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name4-benzoyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(C(=O)c3ccccc3)CC2)c1
InChIInChI=1S/C24H29N3O2/c1-18(2)20-11-8-12-21(17-20)24(3,4)25-23(29)27-15-13-26(14-16-27)22(28)19-9-6-5-7-10-19/h5-12,17H,1,13-16H2,2-4H3,(H,25,29)
InChIKeyXWQGJCMYACTNLO-UHFFFAOYSA-N
XLogP4.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-cycloheptyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
CID 3857182
4-cyano-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
CID 110314986
3-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
CID 2892125
4-(furan-2-ylmethyl)-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1,4-diazepane-1-carboxamide
CID 4679696
4-[2-(2-chloroanilino)-2-oxoethyl]-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1,4-diazepane-1-carboxamide
CID 74228568
4-[2-(2,6-diethylanilino)-2-oxoethyl]-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1,4-diazepane-1-carboxamide
CID 5005899
4-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
CID 110659099
4-hydroxy-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110636838
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 110429166
ethyl (3S)-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyl]piperidine-3-carboxylate
CID 2327071
2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 22967201
4-[4-(3,5-ditert-butyl-4-hydroxyphenyl)-1,3-thiazol-2-yl]-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
CID 3811891

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-benzoyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide (CID 110364709) is 4-benzoyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzoyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzoyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide is C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(C(=O)c3ccccc3)CC2)c1.
What is the InChIKey of 4-benzoyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide?
The InChIKey is XWQGJCMYACTNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18(2)20-11-8-12-21(17-20)24(3,4)25-23(29)27-15-13-26(14-16-27)22(28)19-9-6-5-7-10-19/h5-12,17H,1,13-16H2,2-4H3,(H,25,29).
What are the key properties of 4-benzoyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide?
4-benzoyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 110364709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).