4-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptylpiperazine-1-carboxamide

C20H30ClN3O3 — CID 113110644

IUPAC4-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptylpiperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(=O)NC3CCCCCC3)CC2)c(OC)cc1Cl
InChIInChI=1S/C20H30ClN3O3/c1-26-18-14-17(19(27-2)13-16(18)21)23-9-11-24(12-10-23)20(25)22-15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3,(H,22,25)
InChIKeyQAWIMDKJBXGPLE-UHFFFAOYSA-N
MW395.93 g/mol
LogP3.91
Rot. Bonds4

About 4-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptylpiperazine-1-carboxamide

4-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptylpiperazine-1-carboxamide (PubChem CID 113110644) has the molecular formula C20H30ClN3O3 and a molecular weight of 395.93 g/mol. Its IUPAC name is 4-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptylpiperazine-1-carboxamide
PubChem CID113110644
Molecular FormulaC20H30ClN3O3
Molecular Weight395.93 g/mol
Exact Mass395.20
IUPAC Name4-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptylpiperazine-1-carboxamide
SMILESCOc1cc(N2CCN(C(=O)NC3CCCCCC3)CC2)c(OC)cc1Cl
InChIInChI=1S/C20H30ClN3O3/c1-26-18-14-17(19(27-2)13-16(18)21)23-9-11-24(12-10-23)20(25)22-15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3,(H,22,25)
InChIKeyQAWIMDKJBXGPLE-UHFFFAOYSA-N
XLogP3.91
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-4-(2,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 113110606
N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
4-(4-chloro-2,5-dimethoxyphenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104137
4-(2-chlorophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 17412310
4-(4-chloro-2,5-dimethoxyphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111403
N-cyclohexyl-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707685
1-[4-(4-chloro-2,5-dimethoxyphenyl)piperazin-1-yl]-3-methylbutan-1-one
CID 113080545
4-(3-chloro-4-methylphenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104516
N-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide
CID 113110561
N-cyclopentyl-4-(2,6-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110810749
N'-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptyloxamide
CID 108530972
1-[4-(4-chloro-2,5-dimethoxyphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 113080567

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptylpiperazine-1-carboxamide?
The IUPAC name of 4-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptylpiperazine-1-carboxamide (CID 113110644) is 4-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptylpiperazine-1-carboxamide.
What is the SMILES notation for 4-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptylpiperazine-1-carboxamide?
The canonical SMILES for 4-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptylpiperazine-1-carboxamide is COc1cc(N2CCN(C(=O)NC3CCCCCC3)CC2)c(OC)cc1Cl.
What is the InChIKey of 4-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptylpiperazine-1-carboxamide?
The InChIKey is QAWIMDKJBXGPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O3/c1-26-18-14-17(19(27-2)13-16(18)21)23-9-11-24(12-10-23)20(25)22-15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3,(H,22,25).
What are the key properties of 4-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptylpiperazine-1-carboxamide?
4-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptylpiperazine-1-carboxamide has a molecular weight of 395.93 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptylpiperazine-1-carboxamide is sourced from PubChem (CID 113110644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).