N-[2-methyl-2-(3-methylphenyl)propyl]-3-piperidin-4-ylbutanamide

C20H32N2O — CID 119757009

IUPACN-[2-methyl-2-(3-methylphenyl)propyl]-3-piperidin-4-ylbutanamide
SMILESCc1cccc(C(C)(C)CNC(=O)CC(C)C2CCNCC2)c1
InChIInChI=1S/C20H32N2O/c1-15-6-5-7-18(12-15)20(3,4)14-22-19(23)13-16(2)17-8-10-21-11-9-17/h5-7,12,16-17,21H,8-11,13-14H2,1-4H3,(H,22,23)
InChIKeyOPCPNDCSTGHEMA-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.41
Rot. Bonds6

About N-[2-methyl-2-(3-methylphenyl)propyl]-3-piperidin-4-ylbutanamide

N-[2-methyl-2-(3-methylphenyl)propyl]-3-piperidin-4-ylbutanamide (PubChem CID 119757009) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is N-[2-methyl-2-(3-methylphenyl)propyl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[2-methyl-2-(3-methylphenyl)propyl]-3-piperidin-4-ylbutanamide
PubChem CID119757009
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC NameN-[2-methyl-2-(3-methylphenyl)propyl]-3-piperidin-4-ylbutanamide
SMILESCc1cccc(C(C)(C)CNC(=O)CC(C)C2CCNCC2)c1
InChIInChI=1S/C20H32N2O/c1-15-6-5-7-18(12-15)20(3,4)14-22-19(23)13-16(2)17-8-10-21-11-9-17/h5-7,12,16-17,21H,8-11,13-14H2,1-4H3,(H,22,23)
InChIKeyOPCPNDCSTGHEMA-UHFFFAOYSA-N
XLogP3.41
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119796132
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119771431
N-[2-(3-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119795645
N-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119756896
N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119758283
N-[2-methyl-2-(3-methylphenyl)propyl]-2-pyrrolidin-2-ylacetamide
CID 119757018
N-[2-(2,6-dimethylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119788057
3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 119726417
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-methyl-2-(3-methylphenyl)propyl]acetamide
CID 119757001
5-methyl-N-[2-methyl-2-(3-methylphenyl)propyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119756975
N-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119789313
N-[2-(3-fluoroanilino)-2-oxoethyl]-3-piperidin-4-ylbutanamide
CID 119758092

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(3-methylphenyl)propyl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[2-methyl-2-(3-methylphenyl)propyl]-3-piperidin-4-ylbutanamide (CID 119757009) is N-[2-methyl-2-(3-methylphenyl)propyl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[2-methyl-2-(3-methylphenyl)propyl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[2-methyl-2-(3-methylphenyl)propyl]-3-piperidin-4-ylbutanamide is Cc1cccc(C(C)(C)CNC(=O)CC(C)C2CCNCC2)c1.
What is the InChIKey of N-[2-methyl-2-(3-methylphenyl)propyl]-3-piperidin-4-ylbutanamide?
The InChIKey is OPCPNDCSTGHEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-15-6-5-7-18(12-15)20(3,4)14-22-19(23)13-16(2)17-8-10-21-11-9-17/h5-7,12,16-17,21H,8-11,13-14H2,1-4H3,(H,22,23).
What are the key properties of N-[2-methyl-2-(3-methylphenyl)propyl]-3-piperidin-4-ylbutanamide?
N-[2-methyl-2-(3-methylphenyl)propyl]-3-piperidin-4-ylbutanamide has a molecular weight of 316.49 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(3-methylphenyl)propyl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119757009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).