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

C20H30ClN3O3 — CID 113110561

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(C3CCCCCC3)CC2)c(OC)cc1Cl
InChIInChI=1S/C20H30ClN3O3/c1-26-18-14-17(19(27-2)13-16(18)21)22-20(25)24-11-9-23(10-12-24)15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3,(H,22,25)
InChIKeyVUNVGQLCKHKYMX-UHFFFAOYSA-N
MW395.93 g/mol
LogP4.23
Rot. Bonds4

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

N-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide (PubChem CID 113110561) has the molecular formula C20H30ClN3O3 and a molecular weight of 395.93 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide
PubChem CID113110561
Molecular FormulaC20H30ClN3O3
Molecular Weight395.93 g/mol
Exact Mass395.20
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(C3CCCCCC3)CC2)c(OC)cc1Cl
InChIInChI=1S/C20H30ClN3O3/c1-26-18-14-17(19(27-2)13-16(18)21)22-20(25)24-11-9-23(10-12-24)15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3,(H,22,25)
InChIKeyVUNVGQLCKHKYMX-UHFFFAOYSA-N
XLogP4.23
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 ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-4-methylpiperazine-1-carboxamide
CID 108988465
N-(4-chloro-2,5-dimethoxyphenyl)-2-(4-cyclopentylpiperazin-1-yl)acetamide
CID 34424370
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513
N-(5-acetamido-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987888
N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 55695606
N-(3-chloro-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86837947
4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]piperazine-1-carboxamide
CID 86995011
N-(4-chloro-2,5-dimethoxyphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105519
4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 17185083
4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide
CID 118771356
N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide
CID 2970234
4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 86986929

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide (CID 113110561) is N-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide is COc1cc(NC(=O)N2CCN(C3CCCCCC3)CC2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide?
The InChIKey is VUNVGQLCKHKYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O3/c1-26-18-14-17(19(27-2)13-16(18)21)22-20(25)24-11-9-23(10-12-24)15-7-5-3-4-6-8-15/h13-15H,3-12H2,1-2H3,(H,22,25).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide has a molecular weight of 395.93 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide is sourced from PubChem (CID 113110561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).