N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide

C20H32N2O — CID 119806695

IUPACN-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
SMILESCc1cc(C)cc(CC(C)NC(=O)CC(C)C2CCNCC2)c1
InChIInChI=1S/C20H32N2O/c1-14-9-15(2)11-18(10-14)13-17(4)22-20(23)12-16(3)19-5-7-21-8-6-19/h9-11,16-17,19,21H,5-8,12-13H2,1-4H3,(H,22,23)
InChIKeyVILSMIQMHWGTDD-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.38
Rot. Bonds6

About N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide

N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide (PubChem CID 119806695) has the molecular formula C20H32N2O and a molecular weight of 316.49 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
PubChem CID119806695
Molecular FormulaC20H32N2O
Molecular Weight316.49 g/mol
Exact Mass316.25
IUPAC NameN-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
SMILESCc1cc(C)cc(CC(C)NC(=O)CC(C)C2CCNCC2)c1
InChIInChI=1S/C20H32N2O/c1-14-9-15(2)11-18(10-14)13-17(4)22-20(23)12-16(3)19-5-7-21-8-6-19/h9-11,16-17,19,21H,5-8,12-13H2,1-4H3,(H,22,23)
InChIKeyVILSMIQMHWGTDD-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
CID 119737978
3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride
CID 119733513
N-butan-2-yl-3-piperidin-4-ylbutanamide
CID 119669606
N-(4-methylsulfonylbutan-2-yl)-3-piperidin-4-ylbutanamide
CID 119812275
N-(4-methylhexan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119789209
(2S)-N-[(2R)-1-(3,5-dimethylphenyl)propan-2-yl]pyrrolidine-2-carboxamide
CID 96510056
3-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]butanamide
CID 119686110
N-[2-(4-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119789313
N-[1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119780835
N-[1-(butan-2-ylamino)-1-oxopropan-2-yl]-3-piperidin-4-ylbutanamide
CID 119756301
N-[1-(4-chlorophenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119685524
N-(1,1-diphenylpropan-2-yl)-3-piperidin-4-ylbutanamide
CID 119716630

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide (CID 119806695) is N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide is Cc1cc(C)cc(CC(C)NC(=O)CC(C)C2CCNCC2)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide?
The InChIKey is VILSMIQMHWGTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O/c1-14-9-15(2)11-18(10-14)13-17(4)22-20(23)12-16(3)19-5-7-21-8-6-19/h9-11,16-17,19,21H,5-8,12-13H2,1-4H3,(H,22,23).
What are the key properties of N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide?
N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide has a molecular weight of 316.49 g/mol, XLogP of 3.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119806695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).