[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone

C19H26N2O2 — CID 109052035

IUPAC[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
SMILESCC1CCCN(C(=O)c2cccc(C(=O)N3CCCCC3)c2)C1
InChIInChI=1S/C19H26N2O2/c1-15-7-6-12-21(14-15)19(23)17-9-5-8-16(13-17)18(22)20-10-3-2-4-11-20/h5,8-9,13,15H,2-4,6-7,10-12,14H2,1H3
InChIKeyNOTGISXYMRTPAW-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.18
Rot. Bonds2

About [3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone

[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone (PubChem CID 109052035) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is [3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
PubChem CID109052035
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
SMILESCC1CCCN(C(=O)c2cccc(C(=O)N3CCCCC3)c2)C1
InChIInChI=1S/C19H26N2O2/c1-15-7-6-12-21(14-15)19(23)17-9-5-8-16(13-17)18(22)20-10-3-2-4-11-20/h5,8-9,13,15H,2-4,6-7,10-12,14H2,1H3
InChIKeyNOTGISXYMRTPAW-UHFFFAOYSA-N
XLogP3.18
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone 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

(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385
N-cyclopropyl-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109050747
(3-methylpiperidin-1-yl)-[3-(trifluoromethyl)phenyl]methanone
CID 78783825
N-[3-(3-methylpiperidine-1-carbonyl)phenyl]cyclopropanecarboxamide
CID 51149495
[6-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109095169
[3-(difluoromethoxy)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 78783741
N-(2,6-difluorophenyl)-3-(3-methylpiperidine-1-carbonyl)benzamide
CID 109056590
(4-methylazepan-1-yl)-(3-methylphenyl)methanone
CID 84581250
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
(3R)-1-(3-methylbenzoyl)piperidine-3-carboxylic acid
CID 42257324
(3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 18105294

Frequently Asked Questions

What is the IUPAC name of [3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone (CID 109052035) is [3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone is CC1CCCN(C(=O)c2cccc(C(=O)N3CCCCC3)c2)C1.
What is the InChIKey of [3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone?
The InChIKey is NOTGISXYMRTPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-15-7-6-12-21(14-15)19(23)17-9-5-8-16(13-17)18(22)20-10-3-2-4-11-20/h5,8-9,13,15H,2-4,6-7,10-12,14H2,1H3.
What are the key properties of [3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone?
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone has a molecular weight of 314.43 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109052035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).