4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide

C19H29N3O2 — CID 113110513

IUPAC4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C19H29N3O2/c1-24-18-11-7-6-10-17(18)20-19(23)22-14-12-21(13-15-22)16-8-4-2-3-5-9-16/h6-7,10-11,16H,2-5,8-9,12-15H2,1H3,(H,20,23)
InChIKeyOOPPSDNZVWZVQF-UHFFFAOYSA-N
MW331.46 g/mol
LogP3.57
Rot. Bonds3

About 4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide

4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide (PubChem CID 113110513) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
PubChem CID113110513
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCN(C2CCCCCC2)CC1
InChIInChI=1S/C19H29N3O2/c1-24-18-11-7-6-10-17(18)20-19(23)22-14-12-21(13-15-22)16-8-4-2-3-5-9-16/h6-7,10-11,16H,2-5,8-9,12-15H2,1H3,(H,20,23)
InChIKeyOOPPSDNZVWZVQF-UHFFFAOYSA-N
XLogP3.57
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86987888
N-(4-chloro-2,5-dimethoxyphenyl)-4-cycloheptylpiperazine-1-carboxamide
CID 113110561
N-(2-methoxyphenyl)-4-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 27869689
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-(2-methoxyphenyl)-4-(piperidin-1-ylmethyl)piperidine-1-carboxamide
CID 126459311
4-cyclopentyl-N-[2-methoxy-5-(methylcarbamoyl)phenyl]-1,4-diazepane-1-carboxamide
CID 118771356
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009
N-(3-chloro-2-methylphenyl)-4-cyclohexylpiperazine-1-carboxamide
CID 2970234
(4-cyclopentylpiperazin-1-yl)-(2-methoxyphenyl)methanone
CID 796432
N-(2-methoxyphenyl)-4-propan-2-ylpiperazine-1-carboxamide
CID 17185460
ethyl 2-[(4-cyclopentylpiperazine-1-carbonyl)amino]benzoate
CID 113104471

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide (CID 113110513) is 4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide is COc1ccccc1NC(=O)N1CCN(C2CCCCCC2)CC1.
What is the InChIKey of 4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide?
The InChIKey is OOPPSDNZVWZVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-24-18-11-7-6-10-17(18)20-19(23)22-14-12-21(13-15-22)16-8-4-2-3-5-9-16/h6-7,10-11,16H,2-5,8-9,12-15H2,1H3,(H,20,23).
What are the key properties of 4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide?
4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-N-(2-methoxyphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 113110513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).