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

C24H37N3O — CID 3857182

IUPAC4-cycloheptyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(C3CCCCCC3)CC2)c1
InChIInChI=1S/C24H37N3O/c1-19(2)20-10-9-11-21(18-20)24(3,4)25-23(28)27-16-14-26(15-17-27)22-12-7-5-6-8-13-22/h9-11,18,22H,1,5-8,12-17H2,2-4H3,(H,25,28)
InChIKeyWBOHDRFLZCEXNT-UHFFFAOYSA-N
MW383.58 g/mol
LogP5.00
Rot. Bonds4

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

4-cycloheptyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide (PubChem CID 3857182) has the molecular formula C24H37N3O and a molecular weight of 383.58 g/mol. Its IUPAC name is 4-cycloheptyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cycloheptyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
PubChem CID3857182
Molecular FormulaC24H37N3O
Molecular Weight383.58 g/mol
Exact Mass383.29
IUPAC Name4-cycloheptyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
SMILESC=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(C3CCCCCC3)CC2)c1
InChIInChI=1S/C24H37N3O/c1-19(2)20-10-9-11-21(18-20)24(3,4)25-23(28)27-16-14-26(15-17-27)22-12-7-5-6-8-13-22/h9-11,18,22H,1,5-8,12-17H2,2-4H3,(H,25,28)
InChIKeyWBOHDRFLZCEXNT-UHFFFAOYSA-N
XLogP5.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.58
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperidine-1-carboxamide
CID 2892125
4-benzoyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide
CID 110364709
ethyl (3S)-1-[2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyl]piperidine-3-carboxylate
CID 2327071
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
1-cyclohexyl-1-methyl-3-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]urea
CID 19168372
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-(2-chloroanilino)-2-oxoethyl]-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-1,4-diazepane-1-carboxamide
CID 74228568
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
(1R,5S)-1,3,3-trimethyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 2327057
cyclopropylmethyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 22966825
N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987867
2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 22967201

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-cycloheptyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide (CID 3857182) is 4-cycloheptyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-cycloheptyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-cycloheptyl-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(C3CCCCCC3)CC2)c1.
What is the InChIKey of 4-cycloheptyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide?
The InChIKey is WBOHDRFLZCEXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O/c1-19(2)20-10-9-11-21(18-20)24(3,4)25-23(28)27-16-14-26(15-17-27)22-12-7-5-6-8-13-22/h9-11,18,22H,1,5-8,12-17H2,2-4H3,(H,25,28).
What are the key properties of 4-cycloheptyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide?
4-cycloheptyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide has a molecular weight of 383.58 g/mol, XLogP of 5.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 3857182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).