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

C19H31ClN2O — CID 119795645

IUPACN-[2-(3-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCc1cccc(C(C)(C)NC(=O)CC(C)C2CCNCC2)c1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-14-6-5-7-17(12-14)19(3,4)21-18(22)13-15(2)16-8-10-20-11-9-16;/h5-7,12,15-16,20H,8-11,13H2,1-4H3,(H,21,22);1H
InChIKeyAIWXBBFFXUVEDG-UHFFFAOYSA-N
MW338.92 g/mol
LogP3.79
Rot. Bonds5

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

N-[2-(3-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119795645) has the molecular formula C19H31ClN2O and a molecular weight of 338.92 g/mol. Its IUPAC name is N-[2-(3-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119795645
Molecular FormulaC19H31ClN2O
Molecular Weight338.92 g/mol
Exact Mass338.21
IUPAC NameN-[2-(3-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCc1cccc(C(C)(C)NC(=O)CC(C)C2CCNCC2)c1.Cl
InChIInChI=1S/C19H30N2O.ClH/c1-14-6-5-7-17(12-14)19(3,4)21-18(22)13-15(2)16-8-10-20-11-9-16;/h5-7,12,15-16,20H,8-11,13H2,1-4H3,(H,21,22);1H
InChIKeyAIWXBBFFXUVEDG-UHFFFAOYSA-N
XLogP3.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.92
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methyl-2-(3-methylphenyl)propyl]-3-piperidin-4-ylbutanamide
CID 119757009
N-[2-(4-ethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119808542
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119771431
N-[2-(3-fluorophenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119796132
2-amino-N-[2-(3-methylphenyl)propan-2-yl]acetamide;hydrochloride
CID 119330311
N-[2-(3-methylphenyl)propan-2-yl]propanamide
CID 118233216
N-(2-methylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119763294
N-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119756896
3-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
CID 119858708
N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
N-(2-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119399928
N-[2-(2,6-dimethylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119788057

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-(3-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119795645) is N-[2-(3-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(3-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(3-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride is Cc1cccc(C(C)(C)NC(=O)CC(C)C2CCNCC2)c1.Cl.
What is the InChIKey of N-[2-(3-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is AIWXBBFFXUVEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O.ClH/c1-14-6-5-7-17(12-14)19(3,4)21-18(22)13-15(2)16-8-10-20-11-9-16;/h5-7,12,15-16,20H,8-11,13H2,1-4H3,(H,21,22);1H.
What are the key properties of N-[2-(3-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[2-(3-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 338.92 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119795645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).