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

C17H26N2O — CID 119443928

IUPACN-methyl-4-(4-methylphenyl)-N-piperidin-4-ylbutanamide
SMILESCc1ccc(CCCC(=O)N(C)C2CCNCC2)cc1
InChIInChI=1S/C17H26N2O/c1-14-6-8-15(9-7-14)4-3-5-17(20)19(2)16-10-12-18-13-11-16/h6-9,16,18H,3-5,10-13H2,1-2H3
InChIKeyDDOBHEHXVVUOBH-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.53
Rot. Bonds5

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

N-methyl-4-(4-methylphenyl)-N-piperidin-4-ylbutanamide (PubChem CID 119443928) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is N-methyl-4-(4-methylphenyl)-N-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-methyl-4-(4-methylphenyl)-N-piperidin-4-ylbutanamide
PubChem CID119443928
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC NameN-methyl-4-(4-methylphenyl)-N-piperidin-4-ylbutanamide
SMILESCc1ccc(CCCC(=O)N(C)C2CCNCC2)cc1
InChIInChI=1S/C17H26N2O/c1-14-6-8-15(9-7-14)4-3-5-17(20)19(2)16-10-12-18-13-11-16/h6-9,16,18H,3-5,10-13H2,1-2H3
InChIKeyDDOBHEHXVVUOBH-UHFFFAOYSA-N
XLogP2.53
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-4-(4-methylphenyl)-N-(1-oxothian-4-yl)butanamide
CID 75533757
5-(4-methylphenyl)-N-piperidin-4-yl-N-propylpentanamide
CID 119823684
N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide
CID 119442941
N-methyl-4-(4-methylphenyl)-4-oxo-N-piperidin-4-ylbutanamide;hydrochloride
CID 119442940
N-methyl-2-(4-methylphenyl)-N-pyrrolidin-3-ylacetamide
CID 55027680
4-(3,4-difluorophenyl)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552359
N-(azepan-4-yl)-N-methyl-3-phenylpropanamide
CID 104974503
N-methyl-4-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-N-pyrrolidin-3-ylbutanamide
CID 119553466
4-(4-butylphenyl)-N-methyl-4-oxo-N-pyrrolidin-3-ylbutanamide
CID 119554642
N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide
CID 119442665
N-methyl-N-piperidin-4-ylheptanamide
CID 115736784
N-methyl-4-(2-oxo-1,3-dihydroindol-5-yl)-N-pyrrolidin-3-ylbutanamide
CID 119552860

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylphenyl)-N-piperidin-4-ylbutanamide?
The IUPAC name of N-methyl-4-(4-methylphenyl)-N-piperidin-4-ylbutanamide (CID 119443928) is N-methyl-4-(4-methylphenyl)-N-piperidin-4-ylbutanamide.
What is the SMILES notation for N-methyl-4-(4-methylphenyl)-N-piperidin-4-ylbutanamide?
The canonical SMILES for N-methyl-4-(4-methylphenyl)-N-piperidin-4-ylbutanamide is Cc1ccc(CCCC(=O)N(C)C2CCNCC2)cc1.
What is the InChIKey of N-methyl-4-(4-methylphenyl)-N-piperidin-4-ylbutanamide?
The InChIKey is DDOBHEHXVVUOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-14-6-8-15(9-7-14)4-3-5-17(20)19(2)16-10-12-18-13-11-16/h6-9,16,18H,3-5,10-13H2,1-2H3.
What are the key properties of N-methyl-4-(4-methylphenyl)-N-piperidin-4-ylbutanamide?
N-methyl-4-(4-methylphenyl)-N-piperidin-4-ylbutanamide has a molecular weight of 274.41 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methylphenyl)-N-piperidin-4-ylbutanamide is sourced from PubChem (CID 119443928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).