N-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride

C20H33ClN2O — CID 119756896

IUPACN-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCc1ccccc1C(C)(C)CNC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C20H32N2O.ClH/c1-15-7-5-6-8-18(15)20(3,4)14-22-19(23)13-16(2)17-9-11-21-12-10-17;/h5-8,16-17,21H,9-14H2,1-4H3,(H,22,23);1H
InChIKeyBBIAFZRGALLNST-UHFFFAOYSA-N
MW352.95 g/mol
LogP3.84
Rot. Bonds6

About N-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119756896) has the molecular formula C20H33ClN2O and a molecular weight of 352.95 g/mol. Its IUPAC name is N-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119756896
Molecular FormulaC20H33ClN2O
Molecular Weight352.95 g/mol
Exact Mass352.23
IUPAC NameN-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCc1ccccc1C(C)(C)CNC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C20H32N2O.ClH/c1-15-7-5-6-8-18(15)20(3,4)14-22-19(23)13-16(2)17-9-11-21-12-10-17;/h5-8,16-17,21H,9-14H2,1-4H3,(H,22,23);1H
InChIKeyBBIAFZRGALLNST-UHFFFAOYSA-N
XLogP3.84
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.95
LogP ≤ 53.84
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-tert-butylphenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119399928
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
N-[2-(2-methylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119688197
N-[2-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-4-ylbutanamide
CID 119758283
N-[2-(2,6-dimethylphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119788057
N-[[1-(2-methylphenyl)cyclopropyl]methyl]-3-piperidin-4-ylbutanamide
CID 119770278
N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide
CID 119742942
3-piperidin-4-yl-N-(2,2,2-trifluoroethyl)butanamide
CID 119726417
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
N-(2-hydroxy-2-phenylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119676987

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119756896) is N-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride is Cc1ccccc1C(C)(C)CNC(=O)CC(C)C1CCNCC1.Cl.
What is the InChIKey of N-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is BBIAFZRGALLNST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O.ClH/c1-15-7-5-6-8-18(15)20(3,4)14-22-19(23)13-16(2)17-9-11-21-12-10-17;/h5-8,16-17,21H,9-14H2,1-4H3,(H,22,23);1H.
What are the key properties of N-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 352.95 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(2-methylphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119756896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).