N-[1-[3-(3,5-dimethylpiperidin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide

C23H43N3O2 — CID 5189481

IUPACN-[1-[3-(3,5-dimethylpiperidin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(C(=O)NCCCN2CC(C)CC(C)C2)C(C)C)CC1
InChIInChI=1S/C23H43N3O2/c1-16(2)21(25-22(27)20-9-7-17(3)8-10-20)23(28)24-11-6-12-26-14-18(4)13-19(5)15-26/h16-21H,6-15H2,1-5H3,(H,24,28)(H,25,27)
InChIKeyPYQYWVVSOIKLHN-UHFFFAOYSA-N
MW393.62 g/mol
LogP3.44
Rot. Bonds8

About N-[1-[3-(3,5-dimethylpiperidin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide

N-[1-[3-(3,5-dimethylpiperidin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide (PubChem CID 5189481) has the molecular formula C23H43N3O2 and a molecular weight of 393.62 g/mol. Its IUPAC name is N-[1-[3-(3,5-dimethylpiperidin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(3,5-dimethylpiperidin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
PubChem CID5189481
Molecular FormulaC23H43N3O2
Molecular Weight393.62 g/mol
Exact Mass393.34
IUPAC NameN-[1-[3-(3,5-dimethylpiperidin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)NC(C(=O)NCCCN2CC(C)CC(C)C2)C(C)C)CC1
InChIInChI=1S/C23H43N3O2/c1-16(2)21(25-22(27)20-9-7-17(3)8-10-20)23(28)24-11-6-12-26-14-18(4)13-19(5)15-26/h16-21H,6-15H2,1-5H3,(H,24,28)(H,25,27)
InChIKeyPYQYWVVSOIKLHN-UHFFFAOYSA-N
XLogP3.44
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.62
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[1-[3-(3,5-dimethylpiperidin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide 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 N-[1-[3-(3,5-dimethylpiperidin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-[1-[3-(3,5-dimethylpiperidin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide (CID 5189481) is N-[1-[3-(3,5-dimethylpiperidin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[1-[3-(3,5-dimethylpiperidin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-[1-[3-(3,5-dimethylpiperidin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)NC(C(=O)NCCCN2CC(C)CC(C)C2)C(C)C)CC1.
What is the InChIKey of N-[1-[3-(3,5-dimethylpiperidin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
The InChIKey is PYQYWVVSOIKLHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N3O2/c1-16(2)21(25-22(27)20-9-7-17(3)8-10-20)23(28)24-11-6-12-26-14-18(4)13-19(5)15-26/h16-21H,6-15H2,1-5H3,(H,24,28)(H,25,27).
What are the key properties of N-[1-[3-(3,5-dimethylpiperidin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide?
N-[1-[3-(3,5-dimethylpiperidin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide has a molecular weight of 393.62 g/mol, XLogP of 3.44, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3,5-dimethylpiperidin-1-yl)propylamino]-3-methyl-1-oxobutan-2-yl]-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 5189481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).