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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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).