(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide

C15H20N2O2 — CID 9039260

IUPAC(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@H](C(=O)Nc2cccc(C)c2)C1
InChIInChI=1S/C15H20N2O2/c1-11-5-3-7-14(9-11)16-15(19)13-6-4-8-17(10-13)12(2)18/h3,5,7,9,13H,4,6,8,10H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyQQLWBBLJENDNAB-ZDUSSCGKSA-N
MW260.34 g/mol
LogP2.19
Rot. Bonds2

About (3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide

(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide (PubChem CID 9039260) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
PubChem CID9039260
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
SMILESCC(=O)N1CCC[C@H](C(=O)Nc2cccc(C)c2)C1
InChIInChI=1S/C15H20N2O2/c1-11-5-3-7-14(9-11)16-15(19)13-6-4-8-17(10-13)12(2)18/h3,5,7,9,13H,4,6,8,10H2,1-2H3,(H,16,19)/t13-/m0/s1
InChIKeyQQLWBBLJENDNAB-ZDUSSCGKSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 55817615
(3S)-1-N,1-N-dimethyl-3-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161105
(3S)-1-acetyl-N-(3-fluorophenyl)piperidine-3-carboxamide
CID 9068167
3-N-methyl-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 47323838
(3R)-1-acetyl-N-[3-(4-fluorophenyl)phenyl]piperidine-3-carboxamide
CID 26396271
(3S)-1-acetyl-N-[3-(dimethylsulfamoyl)phenyl]piperidine-3-carboxamide
CID 9208005
1-acetyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide
CID 119438060
(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 9068498
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679
(3R)-N-(3-fluorophenyl)-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 94082579
(3R)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 41447048
(3S)-1-ethylsulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 41447046

Frequently Asked Questions

What is the IUPAC name of (3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide (CID 9039260) is (3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide is CC(=O)N1CCC[C@H](C(=O)Nc2cccc(C)c2)C1.
What is the InChIKey of (3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide?
The InChIKey is QQLWBBLJENDNAB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-5-3-7-14(9-11)16-15(19)13-6-4-8-17(10-13)12(2)18/h3,5,7,9,13H,4,6,8,10H2,1-2H3,(H,16,19)/t13-/m0/s1.
What are the key properties of (3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide?
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 9039260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).