N-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide

C24H32N4O2 — CID 50834297

IUPACN-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCc1cccc(Oc2nccnc2N2CCC(C(=O)NC3CCCCCC3)CC2)c1
InChIInChI=1S/C24H32N4O2/c1-18-7-6-10-21(17-18)30-24-22(25-13-14-26-24)28-15-11-19(12-16-28)23(29)27-20-8-4-2-3-5-9-20/h6-7,10,13-14,17,19-20H,2-5,8-9,11-12,15-16H2,1H3,(H,27,29)
InChIKeyGSKDWDXAECRSJG-UHFFFAOYSA-N
MW408.55 g/mol
LogP4.63
Rot. Bonds5

About N-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide

N-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 50834297) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
PubChem CID50834297
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC NameN-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
SMILESCc1cccc(Oc2nccnc2N2CCC(C(=O)NC3CCCCCC3)CC2)c1
InChIInChI=1S/C24H32N4O2/c1-18-7-6-10-21(17-18)30-24-22(25-13-14-26-24)28-15-11-19(12-16-28)23(29)27-20-8-4-2-3-5-9-20/h6-7,10,13-14,17,19-20H,2-5,8-9,11-12,15-16H2,1H3,(H,27,29)
InChIKeyGSKDWDXAECRSJG-UHFFFAOYSA-N
XLogP4.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,4-dimethylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834395
N-(4-fluorophenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834326
1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-[(1S)-1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 92884014
1-[3-(3-methylphenoxy)pyrazin-2-yl]-N-(4-morpholin-4-ylphenyl)piperidine-4-carboxamide
CID 50834252
N-(4-chloro-2-methoxy-5-methylphenyl)-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392191
N-(2,5-dimethoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834258
N-cyclopentyl-1-[3-(2,5-dimethylpyrrol-1-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 46333849
N-[(4-bromophenyl)methyl]-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834243
N-(3-ethylphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834418
N-[3-[cyclohexyl(methyl)amino]propyl]-1-[3-(4-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 46392086
N-(3-fluoro-4-methoxyphenyl)-1-[3-(3-methoxyphenoxy)pyrazin-2-yl]piperidine-4-carboxamide
CID 50834387
1-[3-(3-methoxyphenoxy)pyrazin-2-yl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide
CID 50834328

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide (CID 50834297) is N-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide is Cc1cccc(Oc2nccnc2N2CCC(C(=O)NC3CCCCCC3)CC2)c1.
What is the InChIKey of N-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is GSKDWDXAECRSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-18-7-6-10-21(17-18)30-24-22(25-13-14-26-24)28-15-11-19(12-16-28)23(29)27-20-8-4-2-3-5-9-20/h6-7,10,13-14,17,19-20H,2-5,8-9,11-12,15-16H2,1H3,(H,27,29).
What are the key properties of N-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide?
N-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 408.55 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[3-(3-methylphenoxy)pyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 50834297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).