2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone

C20H38N4O — CID 58826208

IUPAC2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone
SMILESCC(C)N1CCCN(C(=O)CN2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C20H38N4O/c1-18(2)22-11-6-12-24(16-15-22)20(25)17-21-13-7-19(8-14-21)23-9-4-3-5-10-23/h18-19H,3-17H2,1-2H3
InChIKeyGQYJJXGLDMBBQF-UHFFFAOYSA-N
MW350.55 g/mol
LogP1.88
Rot. Bonds4

About 2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone

2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone (PubChem CID 58826208) has the molecular formula C20H38N4O and a molecular weight of 350.55 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone
PubChem CID58826208
Molecular FormulaC20H38N4O
Molecular Weight350.55 g/mol
Exact Mass350.30
IUPAC Name2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone
SMILESCC(C)N1CCCN(C(=O)CN2CCC(N3CCCCC3)CC2)CC1
InChIInChI=1S/C20H38N4O/c1-18(2)22-11-6-12-24(16-15-22)20(25)17-21-13-7-19(8-14-21)23-9-4-3-5-10-23/h18-19H,3-17H2,1-2H3
InChIKeyGQYJJXGLDMBBQF-UHFFFAOYSA-N
XLogP1.88
TPSA30.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.55
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone?
The IUPAC name of 2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone (CID 58826208) is 2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone.
What is the SMILES notation for 2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone?
The canonical SMILES for 2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone is CC(C)N1CCCN(C(=O)CN2CCC(N3CCCCC3)CC2)CC1.
What is the InChIKey of 2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone?
The InChIKey is GQYJJXGLDMBBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N4O/c1-18(2)22-11-6-12-24(16-15-22)20(25)17-21-13-7-19(8-14-21)23-9-4-3-5-10-23/h18-19H,3-17H2,1-2H3.
What are the key properties of 2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone?
2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone has a molecular weight of 350.55 g/mol, XLogP of 1.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone is sourced from PubChem (CID 58826208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).