2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide

C23H30N2O — CID 46469858

IUPAC2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCc1ccc(CC(=O)NCc2ccccc2CN2CCC(C)CC2)cc1
InChIInChI=1S/C23H30N2O/c1-18-7-9-20(10-8-18)15-23(26)24-16-21-5-3-4-6-22(21)17-25-13-11-19(2)12-14-25/h3-10,19H,11-17H2,1-2H3,(H,24,26)
InChIKeyFVVHFQRTIFXGNP-UHFFFAOYSA-N
MW350.51 g/mol
LogP4.09
Rot. Bonds6

About 2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide

2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide (PubChem CID 46469858) has the molecular formula C23H30N2O and a molecular weight of 350.51 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
PubChem CID46469858
Molecular FormulaC23H30N2O
Molecular Weight350.51 g/mol
Exact Mass350.24
IUPAC Name2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCc1ccc(CC(=O)NCc2ccccc2CN2CCC(C)CC2)cc1
InChIInChI=1S/C23H30N2O/c1-18-7-9-20(10-8-18)15-23(26)24-16-21-5-3-4-6-22(21)17-25-13-11-19(2)12-14-25/h3-10,19H,11-17H2,1-2H3,(H,24,26)
InChIKeyFVVHFQRTIFXGNP-UHFFFAOYSA-N
XLogP4.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845145
2-(4-methylphenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 27887322
2-(methylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119845171
2-amino-2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 120669594
2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46476891
2,4,5-trimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]furan-3-carboxamide
CID 46477048
2-amino-2-methyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 119845143
2-(4-aminophenyl)-N-[[2-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]acetamide
CID 119895665
1,5-dimethyl-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrrole-2-carboxamide
CID 55715573
4-(methylamino)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]butanamide;dihydrochloride
CID 119845148
3-(2-aminophenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 120612330
N-[3-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methylamino]-3-oxopropyl]furan-2-carboxamide
CID 55710554

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide (CID 46469858) is 2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide is Cc1ccc(CC(=O)NCc2ccccc2CN2CCC(C)CC2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide?
The InChIKey is FVVHFQRTIFXGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O/c1-18-7-9-20(10-8-18)15-23(26)24-16-21-5-3-4-6-22(21)17-25-13-11-19(2)12-14-25/h3-10,19H,11-17H2,1-2H3,(H,24,26).
What are the key properties of 2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide?
2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide has a molecular weight of 350.51 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 46469858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).