3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide

C20H32N2O — CID 86961985

IUPAC3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide
SMILESCc1ccccc1C(C)CC(=O)NCCCN1CCCC(C)C1
InChIInChI=1S/C20H32N2O/c1-16-8-6-12-22(15-16)13-7-11-21-20(23)14-18(3)19-10-5-4-9-17(19)2/h4-5,9-10,16,18H,6-8,11-15H2,1-3H3,(H,21,23)
InChIKeyMDADZFPBCBBUCW-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.73
Rot. Bonds7

About 3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide

3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide (PubChem CID 86961985) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is 3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide.

Molecular Properties

Compound Name3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide
PubChem CID86961985
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC Name3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide
SMILESCc1ccccc1C(C)CC(=O)NCCCN1CCCC(C)C1
InChIInChI=1S/C20H32N2O/c1-16-8-6-12-22(15-16)13-7-11-21-20(23)14-18(3)19-10-5-4-9-17(19)2/h4-5,9-10,16,18H,6-8,11-15H2,1-3H3,(H,21,23)
InChIKeyMDADZFPBCBBUCW-UHFFFAOYSA-N
XLogP3.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 62623454
2-(2-chlorophenyl)-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]acetamide
CID 94119841
N-(3-hydroxybutyl)-3-(2-methylphenyl)butanamide
CID 111433573
3-(3,4-dimethylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
CID 133199627
N-[3-(3-methylpiperidin-1-yl)propyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 133160653
3-acetamido-3-(4-chlorophenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]propanamide
CID 55717805
3,4-dimethyl-N-[3-(3-methylpiperidin-1-yl)propyl]benzamide
CID 133264409
3,4-dimethyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzamide
CID 94119693
2-chloro-N-[3-[4-(3-methylpiperidin-1-yl)butylamino]-3-oxo-1-phenylpropyl]benzamide
CID 60516198
3-methyl-N-[3-(3-methylpiperidin-1-yl)propyl]-2-[(2-phenoxyacetyl)amino]butanamide
CID 86990783
3-methyl-N-[1-[3-(3-methylpiperidin-1-yl)propylamino]-1-oxopropan-2-yl]benzamide
CID 86990789
N-[3-(3-methylpiperidin-1-yl)propyl]-3-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 3242957

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide?
The IUPAC name of 3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide (CID 86961985) is 3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide.
What is the SMILES notation for 3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide?
The canonical SMILES for 3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide is Cc1ccccc1C(C)CC(=O)NCCCN1CCCC(C)C1.
What is the InChIKey of 3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide?
The InChIKey is MDADZFPBCBBUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-16-8-6-12-22(15-16)13-7-11-21-20(23)14-18(3)19-10-5-4-9-17(19)2/h4-5,9-10,16,18H,6-8,11-15H2,1-3H3,(H,21,23).
What are the key properties of 3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide?
3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide has a molecular weight of 316.49 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-N-[3-(3-methylpiperidin-1-yl)propyl]butanamide is sourced from PubChem (CID 86961985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).