cyclohexyl-[4-phenyl-6-(pyrazin-2-ylmethyl)-1,4-diazepan-1-yl]methanone

C23H30N4O — CID 110252411

IUPACcyclohexyl-[4-phenyl-6-(pyrazin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN(c2ccccc2)CC(Cc2cnccn2)C1
InChIInChI=1S/C23H30N4O/c28-23(20-7-3-1-4-8-20)27-14-13-26(22-9-5-2-6-10-22)17-19(18-27)15-21-16-24-11-12-25-21/h2,5-6,9-12,16,19-20H,1,3-4,7-8,13-15,17-18H2
InChIKeyZJOKRASNNLJKMS-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.56
Rot. Bonds4

About cyclohexyl-[4-phenyl-6-(pyrazin-2-ylmethyl)-1,4-diazepan-1-yl]methanone

cyclohexyl-[4-phenyl-6-(pyrazin-2-ylmethyl)-1,4-diazepan-1-yl]methanone (PubChem CID 110252411) has the molecular formula C23H30N4O and a molecular weight of 378.52 g/mol. Its IUPAC name is cyclohexyl-[4-phenyl-6-(pyrazin-2-ylmethyl)-1,4-diazepan-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-phenyl-6-(pyrazin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
PubChem CID110252411
Molecular FormulaC23H30N4O
Molecular Weight378.52 g/mol
Exact Mass378.24
IUPAC Namecyclohexyl-[4-phenyl-6-(pyrazin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
SMILESO=C(C1CCCCC1)N1CCN(c2ccccc2)CC(Cc2cnccn2)C1
InChIInChI=1S/C23H30N4O/c28-23(20-7-3-1-4-8-20)27-14-13-26(22-9-5-2-6-10-22)17-19(18-27)15-21-16-24-11-12-25-21/h2,5-6,9-12,16,19-20H,1,3-4,7-8,13-15,17-18H2
InChIKeyZJOKRASNNLJKMS-UHFFFAOYSA-N
XLogP3.56
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclohexyl-[4-phenyl-6-(pyrazin-2-ylmethyl)-1,4-diazepan-1-yl]methanone 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-[4-[(6R)-4-phenyl-6-(pyrazin-2-ylmethyl)-1,4-diazepane-1-carbonyl]phenyl]acetamide
CID 95815469
3-(4-fluorophenyl)-1-[(6S)-4-phenyl-6-(pyrazin-2-ylmethyl)-1,4-diazepan-1-yl]propan-1-one
CID 95815511
2-(2-methyl-1,3-thiazol-4-yl)-1-[4-phenyl-6-(pyrazin-2-ylmethyl)-1,4-diazepan-1-yl]ethanone
CID 110252431
cyclohexyl-[6-(pyridin-2-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 155983969
oxan-4-yl-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 95845794
cyclohexyl-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 52507166
1-(cyclopropanecarbonyl)-4-pyrazin-2-yl-1,4-diazepane-6-carboxylic acid
CID 74244449
2-[(3R)-3-(pyrazin-2-ylmethyl)piperidin-1-yl]pyrazine
CID 95840910
2-[(3S)-3-(pyrazin-2-ylmethyl)piperidin-1-yl]pyrazine
CID 95840909
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
CID 35220191
[(3R)-1-methylpiperidin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 96588049
N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-4-pyridin-3-ylpiperazine-1-carboxamide
CID 125444699

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-phenyl-6-(pyrazin-2-ylmethyl)-1,4-diazepan-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-phenyl-6-(pyrazin-2-ylmethyl)-1,4-diazepan-1-yl]methanone (CID 110252411) is cyclohexyl-[4-phenyl-6-(pyrazin-2-ylmethyl)-1,4-diazepan-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-phenyl-6-(pyrazin-2-ylmethyl)-1,4-diazepan-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-phenyl-6-(pyrazin-2-ylmethyl)-1,4-diazepan-1-yl]methanone is O=C(C1CCCCC1)N1CCN(c2ccccc2)CC(Cc2cnccn2)C1.
What is the InChIKey of cyclohexyl-[4-phenyl-6-(pyrazin-2-ylmethyl)-1,4-diazepan-1-yl]methanone?
The InChIKey is ZJOKRASNNLJKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O/c28-23(20-7-3-1-4-8-20)27-14-13-26(22-9-5-2-6-10-22)17-19(18-27)15-21-16-24-11-12-25-21/h2,5-6,9-12,16,19-20H,1,3-4,7-8,13-15,17-18H2.
What are the key properties of cyclohexyl-[4-phenyl-6-(pyrazin-2-ylmethyl)-1,4-diazepan-1-yl]methanone?
cyclohexyl-[4-phenyl-6-(pyrazin-2-ylmethyl)-1,4-diazepan-1-yl]methanone has a molecular weight of 378.52 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-phenyl-6-(pyrazin-2-ylmethyl)-1,4-diazepan-1-yl]methanone is sourced from PubChem (CID 110252411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).