N-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide

C19H30N2O — CID 119737978

IUPACN-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
SMILESCc1ccccc1CC(C)NC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C19H30N2O/c1-14-6-4-5-7-18(14)13-16(3)21-19(22)12-15(2)17-8-10-20-11-9-17/h4-7,15-17,20H,8-13H2,1-3H3,(H,21,22)
InChIKeyTZRHPXQYVLZOCX-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.07
Rot. Bonds6

About N-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide

N-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide (PubChem CID 119737978) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
PubChem CID119737978
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
SMILESCc1ccccc1CC(C)NC(=O)CC(C)C1CCNCC1
InChIInChI=1S/C19H30N2O/c1-14-6-4-5-7-18(14)13-16(3)21-19(22)12-15(2)17-8-10-20-11-9-17/h4-7,15-17,20H,8-13H2,1-3H3,(H,21,22)
InChIKeyTZRHPXQYVLZOCX-UHFFFAOYSA-N
XLogP3.07
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
N-[1-(3,5-dimethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide
CID 119806695
N-butan-2-yl-3-piperidin-4-ylbutanamide
CID 119669606
2-(cyclopropylamino)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 54862344
N-(1,1-diphenylpropan-2-yl)-3-piperidin-4-ylbutanamide
CID 119716630
3-piperidin-4-yl-N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanamide;hydrochloride
CID 119733513
N-[2-(2,6-dimethylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119788057
2-(methylamino)-N-[1-(2-methylphenyl)propan-2-yl]acetamide
CID 60927229
N-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119756896
N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide
CID 119742942
N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide
CID 119770278
N-(1-phenylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119772626

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide?
The IUPAC name of N-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide (CID 119737978) is N-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide is Cc1ccccc1CC(C)NC(=O)CC(C)C1CCNCC1.
What is the InChIKey of N-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide?
The InChIKey is TZRHPXQYVLZOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-14-6-4-5-7-18(14)13-16(3)21-19(22)12-15(2)17-8-10-20-11-9-17/h4-7,15-17,20H,8-13H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide?
N-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide has a molecular weight of 302.46 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119737978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).