cyclobutyl-(4-piperidin-4-yl-1,4-diazepan-1-yl)methanone

C15H27N3O — CID 56710692

IUPACcyclobutyl-(4-piperidin-4-yl-1,4-diazepan-1-yl)methanone
SMILESO=C(C1CCC1)N1CCCN(C2CCNCC2)CC1
InChIInChI=1S/C15H27N3O/c19-15(13-3-1-4-13)18-10-2-9-17(11-12-18)14-5-7-16-8-6-14/h13-14,16H,1-12H2
InChIKeyGMVMAYNBGAVLSZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.07
Rot. Bonds2

About cyclobutyl-(4-piperidin-4-yl-1,4-diazepan-1-yl)methanone

cyclobutyl-(4-piperidin-4-yl-1,4-diazepan-1-yl)methanone (PubChem CID 56710692) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is cyclobutyl-(4-piperidin-4-yl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Namecyclobutyl-(4-piperidin-4-yl-1,4-diazepan-1-yl)methanone
PubChem CID56710692
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Namecyclobutyl-(4-piperidin-4-yl-1,4-diazepan-1-yl)methanone
SMILESO=C(C1CCC1)N1CCCN(C2CCNCC2)CC1
InChIInChI=1S/C15H27N3O/c19-15(13-3-1-4-13)18-10-2-9-17(11-12-18)14-5-7-16-8-6-14/h13-14,16H,1-12H2
InChIKeyGMVMAYNBGAVLSZ-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclobutyl-(4-piperidin-4-yl-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

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(4-piperidin-4-yl-1,4-diazepan-1-yl)methanone?
The IUPAC name of cyclobutyl-(4-piperidin-4-yl-1,4-diazepan-1-yl)methanone (CID 56710692) is cyclobutyl-(4-piperidin-4-yl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for cyclobutyl-(4-piperidin-4-yl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for cyclobutyl-(4-piperidin-4-yl-1,4-diazepan-1-yl)methanone is O=C(C1CCC1)N1CCCN(C2CCNCC2)CC1.
What is the InChIKey of cyclobutyl-(4-piperidin-4-yl-1,4-diazepan-1-yl)methanone?
The InChIKey is GMVMAYNBGAVLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c19-15(13-3-1-4-13)18-10-2-9-17(11-12-18)14-5-7-16-8-6-14/h13-14,16H,1-12H2.
What are the key properties of cyclobutyl-(4-piperidin-4-yl-1,4-diazepan-1-yl)methanone?
cyclobutyl-(4-piperidin-4-yl-1,4-diazepan-1-yl)methanone has a molecular weight of 265.40 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(4-piperidin-4-yl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 56710692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).