3-methyl-N-(4-methylphenyl)-N-piperidin-4-ylbutanamide

C17H26N2O — CID 42853228

IUPAC3-methyl-N-(4-methylphenyl)-N-piperidin-4-ylbutanamide
SMILESCc1ccc(N(C(=O)CC(C)C)C2CCNCC2)cc1
InChIInChI=1S/C17H26N2O/c1-13(2)12-17(20)19(16-8-10-18-11-9-16)15-6-4-14(3)5-7-15/h4-7,13,16,18H,8-12H2,1-3H3
InChIKeyMSONXVVQCWPAHW-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.13
Rot. Bonds4

About 3-methyl-N-(4-methylphenyl)-N-piperidin-4-ylbutanamide

3-methyl-N-(4-methylphenyl)-N-piperidin-4-ylbutanamide (PubChem CID 42853228) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 3-methyl-N-(4-methylphenyl)-N-piperidin-4-ylbutanamide.

Molecular Properties

Compound Name3-methyl-N-(4-methylphenyl)-N-piperidin-4-ylbutanamide
PubChem CID42853228
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name3-methyl-N-(4-methylphenyl)-N-piperidin-4-ylbutanamide
SMILESCc1ccc(N(C(=O)CC(C)C)C2CCNCC2)cc1
InChIInChI=1S/C17H26N2O/c1-13(2)12-17(20)19(16-8-10-18-11-9-16)15-6-4-14(3)5-7-15/h4-7,13,16,18H,8-12H2,1-3H3
InChIKeyMSONXVVQCWPAHW-UHFFFAOYSA-N
XLogP3.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-N-piperidin-4-ylbutanamide
CID 174614348
N-ethyl-3-methyl-N-piperidin-4-ylbutanamide
CID 60806063
oxalic acid;N-phenyl-N-piperidin-4-ylpropanamide
CID 117065158
N,2-bis(4-chlorophenyl)-N-piperidin-4-ylacetamide
CID 23338995
N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide
CID 119442941
4-[methyl(piperidin-4-yl)amino]phenol
CID 67423174
N-methyl-N-[1-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119717403
N-methyl-3-(4-methylphenyl)-N-pyrrolidin-3-ylpentanamide
CID 119550358
N-methyl-4-(4-methylphenyl)-N-piperidin-4-ylbutanamide
CID 119443928
N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide;hydrochloride
CID 119442940
N-ethyl-N-(4-methylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119280403
N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 55027680

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(4-methylphenyl)-N-piperidin-4-ylbutanamide?
The IUPAC name of 3-methyl-N-(4-methylphenyl)-N-piperidin-4-ylbutanamide (CID 42853228) is 3-methyl-N-(4-methylphenyl)-N-piperidin-4-ylbutanamide.
What is the SMILES notation for 3-methyl-N-(4-methylphenyl)-N-piperidin-4-ylbutanamide?
The canonical SMILES for 3-methyl-N-(4-methylphenyl)-N-piperidin-4-ylbutanamide is Cc1ccc(N(C(=O)CC(C)C)C2CCNCC2)cc1.
What is the InChIKey of 3-methyl-N-(4-methylphenyl)-N-piperidin-4-ylbutanamide?
The InChIKey is MSONXVVQCWPAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)12-17(20)19(16-8-10-18-11-9-16)15-6-4-14(3)5-7-15/h4-7,13,16,18H,8-12H2,1-3H3.
What are the key properties of 3-methyl-N-(4-methylphenyl)-N-piperidin-4-ylbutanamide?
3-methyl-N-(4-methylphenyl)-N-piperidin-4-ylbutanamide has a molecular weight of 274.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(4-methylphenyl)-N-piperidin-4-ylbutanamide is sourced from PubChem (CID 42853228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).