2-methyl-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide

C22H35N3O2 — CID 51221514

IUPAC2-methyl-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(C(=O)NCCCN1CCCCC1C)C(C)C
InChIInChI=1S/C22H35N3O2/c1-16(2)20(24-21(26)19-12-6-5-10-17(19)3)22(27)23-13-9-15-25-14-8-7-11-18(25)4/h5-6,10,12,16,18,20H,7-9,11,13-15H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyIGCAZXCCAYDCQS-UHFFFAOYSA-N
MW373.54 g/mol
LogP3.13
Rot. Bonds8

About 2-methyl-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide

2-methyl-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide (PubChem CID 51221514) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 2-methyl-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
PubChem CID51221514
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name2-methyl-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
SMILESCc1ccccc1C(=O)NC(C(=O)NCCCN1CCCCC1C)C(C)C
InChIInChI=1S/C22H35N3O2/c1-16(2)20(24-21(26)19-12-6-5-10-17(19)3)22(27)23-13-9-15-25-14-8-7-11-18(25)4/h5-6,10,12,16,18,20H,7-9,11,13-15H2,1-4H3,(H,23,27)(H,24,26)
InChIKeyIGCAZXCCAYDCQS-UHFFFAOYSA-N
XLogP3.13
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide 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

2-fluoro-N-[3-methyl-1-[4-(2-methylpiperidin-1-yl)butylamino]-1-oxobutan-2-yl]benzamide
CID 55717527
N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51221587
4-methoxy-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide
CID 51221501
2-fluoro-3-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 80710568
2-methyl-N-[3-methyl-1-oxo-1-[3-(4-phenylpiperazin-1-yl)propylamino]butan-2-yl]benzamide
CID 55638967
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
N-[1-(3-imidazol-1-ylpropylamino)-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51155778
2-amino-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 119946610
(2S)-2-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-2-phenylacetamide
CID 104897103
2-methyl-N-[(2S)-3-methyl-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl]benzamide
CID 93144997
2-chloro-N-[(2S)-1-[3-(4-ethylpiperazin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 51941916
1-[2-(2-methylphenoxy)ethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 60547514

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide?
The IUPAC name of 2-methyl-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide (CID 51221514) is 2-methyl-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 2-methyl-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide is Cc1ccccc1C(=O)NC(C(=O)NCCCN1CCCCC1C)C(C)C.
What is the InChIKey of 2-methyl-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide?
The InChIKey is IGCAZXCCAYDCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-16(2)20(24-21(26)19-12-6-5-10-17(19)3)22(27)23-13-9-15-25-14-8-7-11-18(25)4/h5-6,10,12,16,18,20H,7-9,11,13-15H2,1-4H3,(H,23,27)(H,24,26).
What are the key properties of 2-methyl-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide?
2-methyl-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide has a molecular weight of 373.54 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-methyl-1-[3-(2-methylpiperidin-1-yl)propylamino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 51221514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).