4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide

C18H27N3O3 — CID 86986929

IUPAC4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(C3CCCC3)CC2)cc(OC)c1
InChIInChI=1S/C18H27N3O3/c1-23-16-11-14(12-17(13-16)24-2)19-18(22)21-9-7-20(8-10-21)15-5-3-4-6-15/h11-13,15H,3-10H2,1-2H3,(H,19,22)
InChIKeyBZINLTJLYXXYIT-UHFFFAOYSA-N
MW333.43 g/mol
LogP2.80
Rot. Bonds4

About 4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide

4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide (PubChem CID 86986929) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
PubChem CID86986929
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1cc(NC(=O)N2CCN(C3CCCC3)CC2)cc(OC)c1
InChIInChI=1S/C18H27N3O3/c1-23-16-11-14(12-17(13-16)24-2)19-18(22)21-9-7-20(8-10-21)15-5-3-4-6-15/h11-13,15H,3-10H2,1-2H3,(H,19,22)
InChIKeyBZINLTJLYXXYIT-UHFFFAOYSA-N
XLogP2.80
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethoxyphenyl)pyrrolidine-1-carboxamide
CID 47162141
4-cyclopropyl-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 47455403
4-cycloheptyl-N-(3,5-dichlorophenyl)piperazine-1-carboxamide
CID 113110558
methyl 4-[(4-cyclohexylpiperazine-1-carbonyl)amino]benzoate
CID 113104639
methyl 3-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate
CID 113104448
N-(3-acetamidophenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987867
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113110513
N-(5-acetamido-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987888
N-(3,5-dimethoxyphenyl)-4-[4-(2-fluorophenoxy)piperidin-1-yl]piperidine-1-carboxamide
CID 90616960
N-(3,5-dimethoxyphenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108869457
1-[(3,5-dimethoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63032599
N-(3-chloro-4-methylphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 17185093

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide (CID 86986929) is 4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide is COc1cc(NC(=O)N2CCN(C3CCCC3)CC2)cc(OC)c1.
What is the InChIKey of 4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is BZINLTJLYXXYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-23-16-11-14(12-17(13-16)24-2)19-18(22)21-9-7-20(8-10-21)15-5-3-4-6-15/h11-13,15H,3-10H2,1-2H3,(H,19,22).
What are the key properties of 4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide?
4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-N-(3,5-dimethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 86986929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).