(2R)-2-methyl-2-[4-(2-methylpropyl)phenyl]-3-piperidin-1-ylbutanamide;hydrochloride

C20H33ClN2O — CID 69172440

IUPAC(2R)-2-methyl-2-[4-(2-methylpropyl)phenyl]-3-piperidin-1-ylbutanamide;hydrochloride
SMILESCC(C)Cc1ccc([C@@](C)(C(N)=O)C(C)N2CCCCC2)cc1.Cl
InChIInChI=1S/C20H32N2O.ClH/c1-15(2)14-17-8-10-18(11-9-17)20(4,19(21)23)16(3)22-12-6-5-7-13-22;/h8-11,15-16H,5-7,12-14H2,1-4H3,(H2,21,23);1H/t16?,20-;/m0./s1
InChIKeyJKUXZUFIDXICBR-NEXUVNJBSA-N
MW352.95 g/mol
LogP3.92
Rot. Bonds6

About (2R)-2-methyl-2-[4-(2-methylpropyl)phenyl]-3-piperidin-1-ylbutanamide;hydrochloride

(2R)-2-methyl-2-[4-(2-methylpropyl)phenyl]-3-piperidin-1-ylbutanamide;hydrochloride (PubChem CID 69172440) has the molecular formula C20H33ClN2O and a molecular weight of 352.95 g/mol. Its IUPAC name is (2R)-2-methyl-2-[4-(2-methylpropyl)phenyl]-3-piperidin-1-ylbutanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-methyl-2-[4-(2-methylpropyl)phenyl]-3-piperidin-1-ylbutanamide;hydrochloride
PubChem CID69172440
Molecular FormulaC20H33ClN2O
Molecular Weight352.95 g/mol
Exact Mass352.23
IUPAC Name(2R)-2-methyl-2-[4-(2-methylpropyl)phenyl]-3-piperidin-1-ylbutanamide;hydrochloride
SMILESCC(C)Cc1ccc([C@@](C)(C(N)=O)C(C)N2CCCCC2)cc1.Cl
InChIInChI=1S/C20H32N2O.ClH/c1-15(2)14-17-8-10-18(11-9-17)20(4,19(21)23)16(3)22-12-6-5-7-13-22;/h8-11,15-16H,5-7,12-14H2,1-4H3,(H2,21,23);1H/t16?,20-;/m0./s1
InChIKeyJKUXZUFIDXICBR-NEXUVNJBSA-N
XLogP3.92
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.95
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-2-methyl-2-[4-(2-methylpropyl)phenyl]-3-piperidin-1-ylbutanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2-[4-(2-methylpropyl)phenyl]-3-piperidin-1-ylbutanamide;hydrochloride?
The IUPAC name of (2R)-2-methyl-2-[4-(2-methylpropyl)phenyl]-3-piperidin-1-ylbutanamide;hydrochloride (CID 69172440) is (2R)-2-methyl-2-[4-(2-methylpropyl)phenyl]-3-piperidin-1-ylbutanamide;hydrochloride.
What is the SMILES notation for (2R)-2-methyl-2-[4-(2-methylpropyl)phenyl]-3-piperidin-1-ylbutanamide;hydrochloride?
The canonical SMILES for (2R)-2-methyl-2-[4-(2-methylpropyl)phenyl]-3-piperidin-1-ylbutanamide;hydrochloride is CC(C)Cc1ccc([C@@](C)(C(N)=O)C(C)N2CCCCC2)cc1.Cl.
What is the InChIKey of (2R)-2-methyl-2-[4-(2-methylpropyl)phenyl]-3-piperidin-1-ylbutanamide;hydrochloride?
The InChIKey is JKUXZUFIDXICBR-NEXUVNJBSA-N. The full InChI is InChI=1S/C20H32N2O.ClH/c1-15(2)14-17-8-10-18(11-9-17)20(4,19(21)23)16(3)22-12-6-5-7-13-22;/h8-11,15-16H,5-7,12-14H2,1-4H3,(H2,21,23);1H/t16?,20-;/m0./s1.
What are the key properties of (2R)-2-methyl-2-[4-(2-methylpropyl)phenyl]-3-piperidin-1-ylbutanamide;hydrochloride?
(2R)-2-methyl-2-[4-(2-methylpropyl)phenyl]-3-piperidin-1-ylbutanamide;hydrochloride has a molecular weight of 352.95 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2-[4-(2-methylpropyl)phenyl]-3-piperidin-1-ylbutanamide;hydrochloride is sourced from PubChem (CID 69172440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).