(3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide

C20H31N3O — CID 94493957

IUPAC(3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)NC2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C20H31N3O/c1-16-12-17(2)14-23(13-16)20(24)21-19-8-10-22(11-9-19)15-18-6-4-3-5-7-18/h3-7,16-17,19H,8-15H2,1-2H3,(H,21,24)/t16-,17+
InChIKeyYJIWOVMAUMUTMR-CALCHBBNSA-N
MW329.49 g/mol
LogP3.34
Rot. Bonds3

About (3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide

(3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide (PubChem CID 94493957) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is (3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide
PubChem CID94493957
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name(3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide
SMILESC[C@@H]1C[C@H](C)CN(C(=O)NC2CCN(Cc3ccccc3)CC2)C1
InChIInChI=1S/C20H31N3O/c1-16-12-17(2)14-23(13-16)20(24)21-19-8-10-22(11-9-19)15-18-6-4-3-5-7-18/h3-7,16-17,19H,8-15H2,1-2H3,(H,21,24)/t16-,17+
InChIKeyYJIWOVMAUMUTMR-CALCHBBNSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]acetamide
CID 8542398
5-methyl-1-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122122094
4-N-(1-benzylpiperidin-4-yl)morpholine-2,4-dicarboxamide
CID 49471723
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424
N-(1-benzylpiperidin-4-yl)-4-but-3-enylpiperidine-1-carboxamide
CID 143091402
1-(1-benzylpiperidin-4-yl)-3-[4-(3,5-dimethylpiperidin-1-yl)butyl]-2-methylguanidine;hydroiodide
CID 110985857
N-(1-benzylpiperidin-4-yl)-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108521147
N-(1-benzylpiperidin-4-yl)-2-methoxyacetamide
CID 836236
N-[(3S)-1-benzylpyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 94785030
1-(1-benzylpiperidin-4-yl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 48953524
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide?
The IUPAC name of (3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide (CID 94493957) is (3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide is C[C@@H]1C[C@H](C)CN(C(=O)NC2CCN(Cc3ccccc3)CC2)C1.
What is the InChIKey of (3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide?
The InChIKey is YJIWOVMAUMUTMR-CALCHBBNSA-N. The full InChI is InChI=1S/C20H31N3O/c1-16-12-17(2)14-23(13-16)20(24)21-19-8-10-22(11-9-19)15-18-6-4-3-5-7-18/h3-7,16-17,19H,8-15H2,1-2H3,(H,21,24)/t16-,17+.
What are the key properties of (3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide?
(3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 94493957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).