2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide

C23H29N3O2 — CID 46482174

IUPAC2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
SMILESCc1cccc(CN2CCC(NC(=O)CNC(=O)c3ccccc3C)CC2)c1
InChIInChI=1S/C23H29N3O2/c1-17-6-5-8-19(14-17)16-26-12-10-20(11-13-26)25-22(27)15-24-23(28)21-9-4-3-7-18(21)2/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyPCPYAKUAWJMFIG-UHFFFAOYSA-N
MW379.50 g/mol
LogP2.81
Rot. Bonds6

About 2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide

2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide (PubChem CID 46482174) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
PubChem CID46482174
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
SMILESCc1cccc(CN2CCC(NC(=O)CNC(=O)c3ccccc3C)CC2)c1
InChIInChI=1S/C23H29N3O2/c1-17-6-5-8-19(14-17)16-26-12-10-20(11-13-26)25-22(27)15-24-23(28)21-9-4-3-7-18(21)2/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyPCPYAKUAWJMFIG-UHFFFAOYSA-N
XLogP2.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(3-methylphenyl)acetamide
CID 6465155
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 55735415
N-[2-(cyclopentylamino)-2-oxoethyl]-2-methylbenzamide
CID 18106161
2-methyl-N-[2-oxo-2-[3-(pyrrolidin-1-ylmethyl)anilino]ethyl]benzamide
CID 46417268
2-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-5-methylsulfonylbenzamide
CID 55745159
N-(1-ethylpiperidin-4-yl)-2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30728730
2-methyl-N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]benzamide
CID 112992155
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
2-chloro-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800875
N-[3-[(1-benzylpyrrolidin-3-yl)amino]-3-oxopropyl]-2-methylbenzamide
CID 24633033
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-propan-2-ylsulfonylbenzamide
CID 55964244
N-[1-[[4-(hydroxymethyl)phenyl]methyl]piperidin-4-yl]-2-methylbenzamide
CID 110009371

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide (CID 46482174) is 2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide is Cc1cccc(CN2CCC(NC(=O)CNC(=O)c3ccccc3C)CC2)c1.
What is the InChIKey of 2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is PCPYAKUAWJMFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-6-5-8-19(14-17)16-26-12-10-20(11-13-26)25-22(27)15-24-23(28)21-9-4-3-7-18(21)2/h3-9,14,20H,10-13,15-16H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide?
2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 379.50 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 46482174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).