4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide

C20H31N3O — CID 92731331

IUPAC4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide
SMILESC[C@H]1C[C@H](C)CN(CC2CCN(C(=O)Nc3ccccc3)CC2)C1
InChIInChI=1S/C20H31N3O/c1-16-12-17(2)14-22(13-16)15-18-8-10-23(11-9-18)20(24)21-19-6-4-3-5-7-19/h3-7,16-18H,8-15H2,1-2H3,(H,21,24)/t16-,17-/m0/s1
InChIKeySEYRNJPLVSJXTK-IRXDYDNUSA-N
MW329.49 g/mol
LogP3.91
Rot. Bonds3

About 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide

4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide (PubChem CID 92731331) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide
PubChem CID92731331
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide
SMILESC[C@H]1C[C@H](C)CN(CC2CCN(C(=O)Nc3ccccc3)CC2)C1
InChIInChI=1S/C20H31N3O/c1-16-12-17(2)14-22(13-16)15-18-8-10-23(11-9-18)20(24)21-19-6-4-3-5-7-19/h3-7,16-18H,8-15H2,1-2H3,(H,21,24)/t16-,17-/m0/s1
InChIKeySEYRNJPLVSJXTK-IRXDYDNUSA-N
XLogP3.91
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 92731351
4-[(3,5-dimethylpiperidin-1-yl)methyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 46366168
4-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperazine-1-carboxamide
CID 18093895
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-(2-phenylethyl)piperidine-1-carboxamide
CID 92731410
N-(2,5-dimethylphenyl)-4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]piperidine-1-carboxamide
CID 92731340
N-(4-methylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 50845478
1-[2-(3,5-dimethylpiperidin-1-yl)acetyl]-N-phenylpiperidine-4-carboxamide
CID 51284859
N-(4-ethylphenyl)-4-[(3-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 50845437
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-[(4-methylphenyl)methyl]piperidine-1-carboxamide
CID 92731401
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
N-(3-fluorophenyl)-4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carboxamide
CID 46366148
N-(2-methylphenyl)-4-[[(3S)-3-methylpiperidin-1-yl]methyl]piperidine-1-carboxamide
CID 92901094

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide (CID 92731331) is 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide is C[C@H]1C[C@H](C)CN(CC2CCN(C(=O)Nc3ccccc3)CC2)C1.
What is the InChIKey of 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide?
The InChIKey is SEYRNJPLVSJXTK-IRXDYDNUSA-N. The full InChI is InChI=1S/C20H31N3O/c1-16-12-17(2)14-22(13-16)15-18-8-10-23(11-9-18)20(24)21-19-6-4-3-5-7-19/h3-7,16-18H,8-15H2,1-2H3,(H,21,24)/t16-,17-/m0/s1.
What are the key properties of 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide?
4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S,5S)-3,5-dimethylpiperidin-1-yl]methyl]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 92731331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).