N-[(4-acetamidophenyl)methyl]-2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]acetamide

C23H29N3O2 — CID 124846288

IUPACN-[(4-acetamidophenyl)methyl]-2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]acetamide
SMILESCC(=O)Nc1ccc(CNC(=O)CN2CCC[C@H](c3cccc(C)c3)C2)cc1
InChIInChI=1S/C23H29N3O2/c1-17-5-3-6-20(13-17)21-7-4-12-26(15-21)16-23(28)24-14-19-8-10-22(11-9-19)25-18(2)27/h3,5-6,8-11,13,21H,4,7,12,14-16H2,1-2H3,(H,24,28)(H,25,27)/t21-/m0/s1
InChIKeyIOCVIQUDNKNUKU-NRFANRHFSA-N
MW379.50 g/mol
LogP3.45
Rot. Bonds6

About N-[(4-acetamidophenyl)methyl]-2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]acetamide

N-[(4-acetamidophenyl)methyl]-2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]acetamide (PubChem CID 124846288) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[(4-acetamidophenyl)methyl]-2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(4-acetamidophenyl)methyl]-2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]acetamide
PubChem CID124846288
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[(4-acetamidophenyl)methyl]-2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]acetamide
SMILESCC(=O)Nc1ccc(CNC(=O)CN2CCC[C@H](c3cccc(C)c3)C2)cc1
InChIInChI=1S/C23H29N3O2/c1-17-5-3-6-20(13-17)21-7-4-12-26(15-21)16-23(28)24-14-19-8-10-22(11-9-19)25-18(2)27/h3,5-6,8-11,13,21H,4,7,12,14-16H2,1-2H3,(H,24,28)(H,25,27)/t21-/m0/s1
InChIKeyIOCVIQUDNKNUKU-NRFANRHFSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-acetamidophenyl)methyl]-2-[(3S)-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]acetamide
CID 124757287
N-[(3-methylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 110687973
2-[3-(acetamidomethyl)pyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 122154551
N-(4-ethylphenyl)-3-[3-[(4-methylphenyl)methylcarbamoyl]phenyl]piperidine-1-carboxamide
CID 46334023
2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 111334072
2-[(3R)-3-hydroxypiperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 129367068
2-(azepan-1-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 108997193
N-[3-[3-(methylamino)-3-oxopropyl]phenyl]-3-(3-methylphenyl)piperidine-1-carboxamide
CID 118786871
4-[[(3S)-3-(3-methylphenyl)piperidin-1-yl]methyl]pyridine
CID 95861552
(3R)-3-[3-[(3-methylphenyl)methylcarbamoyl]phenyl]-N-phenylpiperidine-1-carboxamide
CID 92872816
2-(4-acetamidoanilino)-N-[(3-methylphenyl)methyl]acetamide
CID 108996973
2-[3-(ethylaminomethyl)piperidin-1-yl]-N-(3-methylphenyl)acetamide
CID 63848456

Frequently Asked Questions

What is the IUPAC name of N-[(4-acetamidophenyl)methyl]-2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]acetamide?
The IUPAC name of N-[(4-acetamidophenyl)methyl]-2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]acetamide (CID 124846288) is N-[(4-acetamidophenyl)methyl]-2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[(4-acetamidophenyl)methyl]-2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[(4-acetamidophenyl)methyl]-2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]acetamide is CC(=O)Nc1ccc(CNC(=O)CN2CCC[C@H](c3cccc(C)c3)C2)cc1.
What is the InChIKey of N-[(4-acetamidophenyl)methyl]-2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]acetamide?
The InChIKey is IOCVIQUDNKNUKU-NRFANRHFSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-17-5-3-6-20(13-17)21-7-4-12-26(15-21)16-23(28)24-14-19-8-10-22(11-9-19)25-18(2)27/h3,5-6,8-11,13,21H,4,7,12,14-16H2,1-2H3,(H,24,28)(H,25,27)/t21-/m0/s1.
What are the key properties of N-[(4-acetamidophenyl)methyl]-2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]acetamide?
N-[(4-acetamidophenyl)methyl]-2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]acetamide has a molecular weight of 379.50 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-acetamidophenyl)methyl]-2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]acetamide is sourced from PubChem (CID 124846288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).