(3S)-N-methyl-3-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide

C23H30N2O — CID 25293793

IUPAC(3S)-N-methyl-3-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
SMILESCc1ccccc1[C@@H](CC(=O)N(C)C1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C23H30N2O/c1-18-9-7-8-12-21(18)22(19-10-5-4-6-11-19)17-23(26)25(3)20-13-15-24(2)16-14-20/h4-12,20,22H,13-17H2,1-3H3/t22-/m0/s1
InChIKeyUXSNXNJWTQUMKV-QFIPXVFZSA-N
MW350.51 g/mol
LogP4.07
Rot. Bonds5

About (3S)-N-methyl-3-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide

(3S)-N-methyl-3-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide (PubChem CID 25293793) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is (3S)-N-methyl-3-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name(3S)-N-methyl-3-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
PubChem CID25293793
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name(3S)-N-methyl-3-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide
SMILESCc1ccccc1[C@@H](CC(=O)N(C)C1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C23H30N2O/c1-18-9-7-8-12-21(18)22(19-10-5-4-6-11-19)17-23(26)25(3)20-13-15-24(2)16-14-20/h4-12,20,22H,13-17H2,1-3H3/t22-/m0/s1
InChIKeyUXSNXNJWTQUMKV-QFIPXVFZSA-N
XLogP4.07
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-3-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide?
The IUPAC name of (3S)-N-methyl-3-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide (CID 25293793) is (3S)-N-methyl-3-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide.
What is the SMILES notation for (3S)-N-methyl-3-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide?
The canonical SMILES for (3S)-N-methyl-3-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide is Cc1ccccc1[C@@H](CC(=O)N(C)C1CCN(C)CC1)c1ccccc1.
What is the InChIKey of (3S)-N-methyl-3-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide?
The InChIKey is UXSNXNJWTQUMKV-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H30N2O/c1-18-9-7-8-12-21(18)22(19-10-5-4-6-11-19)17-23(26)25(3)20-13-15-24(2)16-14-20/h4-12,20,22H,13-17H2,1-3H3/t22-/m0/s1.
What are the key properties of (3S)-N-methyl-3-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide?
(3S)-N-methyl-3-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide has a molecular weight of 350.51 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-3-(2-methylphenyl)-N-(1-methylpiperidin-4-yl)-3-phenylpropanamide is sourced from PubChem (CID 25293793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).