N-cycloheptyl-4-(2,5-dimethoxyphenyl)piperazine-1-carboxamide

C20H31N3O3 — CID 113110606

IUPACN-cycloheptyl-4-(2,5-dimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(OC)c(N2CCN(C(=O)NC3CCCCCC3)CC2)c1
InChIInChI=1S/C20H31N3O3/c1-25-17-9-10-19(26-2)18(15-17)22-11-13-23(14-12-22)20(24)21-16-7-5-3-4-6-8-16/h9-10,15-16H,3-8,11-14H2,1-2H3,(H,21,24)
InChIKeyJUZFUAHBTXYHNU-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.26
Rot. Bonds4

About N-cycloheptyl-4-(2,5-dimethoxyphenyl)piperazine-1-carboxamide

N-cycloheptyl-4-(2,5-dimethoxyphenyl)piperazine-1-carboxamide (PubChem CID 113110606) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-cycloheptyl-4-(2,5-dimethoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-(2,5-dimethoxyphenyl)piperazine-1-carboxamide
PubChem CID113110606
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC NameN-cycloheptyl-4-(2,5-dimethoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccc(OC)c(N2CCN(C(=O)NC3CCCCCC3)CC2)c1
InChIInChI=1S/C20H31N3O3/c1-25-17-9-10-19(26-2)18(15-17)22-11-13-23(14-12-22)20(24)21-16-7-5-3-4-6-8-16/h9-10,15-16H,3-8,11-14H2,1-2H3,(H,21,24)
InChIKeyJUZFUAHBTXYHNU-UHFFFAOYSA-N
XLogP3.26
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-(2-methoxyphenyl)piperazine-1-carboxamide
CID 17452485
4-(4-chloro-2,5-dimethoxyphenyl)-N-cycloheptylpiperazine-1-carboxamide
CID 113110644
N-cyclopentyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine-1-carboxamide
CID 17174343
4-(2,5-dimethoxyphenyl)-N-(2-methoxyphenyl)piperazine-1-carboxamide
CID 113113504
(3R)-N-cyclohexyl-1-(2,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9394498
N-cyclohexyl-4-hydroxy-4-(4-methoxyphenyl)piperidine-1-carboxamide
CID 645525
N-cyclohexyl-4-(2-phenoxyphenyl)piperazine-1-carboxamide
CID 113080037
1-(2,5-dimethoxyphenyl)-N-methylpiperidin-4-amine
CID 43315071
tert-butyl 4-(2,5-dimethoxyphenyl)piperazine-1-carboxylate
CID 113077843
(2,6-dimethoxyphenyl)-[4-(2,5-dimethoxyphenyl)piperazin-1-yl]methanone
CID 113077809
N-cyclopentyl-4-(2,6-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110810749
N-cyclohexyl-4-(5-methoxy-1H-indol-2-yl)piperidine-1-carboxamide
CID 113088262

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-(2,5-dimethoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of N-cycloheptyl-4-(2,5-dimethoxyphenyl)piperazine-1-carboxamide (CID 113110606) is N-cycloheptyl-4-(2,5-dimethoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-(2,5-dimethoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-cycloheptyl-4-(2,5-dimethoxyphenyl)piperazine-1-carboxamide is COc1ccc(OC)c(N2CCN(C(=O)NC3CCCCCC3)CC2)c1.
What is the InChIKey of N-cycloheptyl-4-(2,5-dimethoxyphenyl)piperazine-1-carboxamide?
The InChIKey is JUZFUAHBTXYHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-25-17-9-10-19(26-2)18(15-17)22-11-13-23(14-12-22)20(24)21-16-7-5-3-4-6-8-16/h9-10,15-16H,3-8,11-14H2,1-2H3,(H,21,24).
What are the key properties of N-cycloheptyl-4-(2,5-dimethoxyphenyl)piperazine-1-carboxamide?
N-cycloheptyl-4-(2,5-dimethoxyphenyl)piperazine-1-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-(2,5-dimethoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).