4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide

C18H25Cl2N3O — CID 113110558

IUPAC4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)N1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C18H25Cl2N3O/c19-14-11-15(20)13-16(12-14)21-18(24)23-9-7-22(8-10-23)17-5-3-1-2-4-6-17/h11-13,17H,1-10H2,(H,21,24)
InChIKeyVXFDZBQEZTTWPS-UHFFFAOYSA-N
MW370.32 g/mol
LogP4.87
Rot. Bonds2

About 4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide

4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide (PubChem CID 113110558) has the molecular formula C18H25Cl2N3O and a molecular weight of 370.32 g/mol. Its IUPAC name is 4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide
PubChem CID113110558
Molecular FormulaC18H25Cl2N3O
Molecular Weight370.32 g/mol
Exact Mass369.14
IUPAC Name4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide
SMILESO=C(Nc1cc(Cl)cc(Cl)c1)N1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C18H25Cl2N3O/c19-14-11-15(20)13-16(12-14)21-18(24)23-9-7-22(8-10-23)17-5-3-1-2-4-6-17/h11-13,17H,1-10H2,(H,21,24)
InChIKeyVXFDZBQEZTTWPS-UHFFFAOYSA-N
XLogP4.87
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azepan-1-yl)-N-(3,5-dichlorophenyl)azetidine-1-carboxamide
CID 67082547
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093
4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
CID 86986929
N-(3,5-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 113223015
4-cyclopentyl-N-(2,4-dichlorophenyl)piperazine-1-carboxamide
CID 17185083
4-(azepan-1-yl)-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110667169
methyl 3-[[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]-5-chlorobenzoate
CID 124606987
N-(4-aminophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 62369641
N-(4-bromophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185073
4-cyclopentyl-N-(3,5-dichlorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23072018
N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987867
(3S)-1-[(3,5-dichlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81125485

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide (CID 113110558) is 4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide is O=C(Nc1cc(Cl)cc(Cl)c1)N1CCN(C2CCCCCC2)CC1.
What is the InChIKey of 4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide?
The InChIKey is VXFDZBQEZTTWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25Cl2N3O/c19-14-11-15(20)13-16(12-14)21-18(24)23-9-7-22(8-10-23)17-5-3-1-2-4-6-17/h11-13,17H,1-10H2,(H,21,24).
What are the key properties of 4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide?
4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide has a molecular weight of 370.32 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).