3-anilino-N,N-dimethyl-1-(2-phenylethyl)piperidine-3-carboxamide;formic acid

C23H31N3O3 — CID 171692325

IUPAC3-anilino-N,N-dimethyl-1-(2-phenylethyl)piperidine-3-carboxamide;formic acid
SMILESCN(C)C(=O)C1(Nc2ccccc2)CCCN(CCc2ccccc2)C1.O=CO
InChIInChI=1S/C22H29N3O.CH2O2/c1-24(2)21(26)22(23-20-12-7-4-8-13-20)15-9-16-25(18-22)17-14-19-10-5-3-6-11-19;2-1-3/h3-8,10-13,23H,9,14-18H2,1-2H3;1H,(H,2,3)
InChIKeyJNDJATWPXHNTAL-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.96
Rot. Bonds6

About 3-anilino-N,N-dimethyl-1-(2-phenylethyl)piperidine-3-carboxamide;formic acid

3-anilino-N,N-dimethyl-1-(2-phenylethyl)piperidine-3-carboxamide;formic acid (PubChem CID 171692325) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-anilino-N,N-dimethyl-1-(2-phenylethyl)piperidine-3-carboxamide;formic acid.

Molecular Properties

Compound Name3-anilino-N,N-dimethyl-1-(2-phenylethyl)piperidine-3-carboxamide;formic acid
PubChem CID171692325
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Name3-anilino-N,N-dimethyl-1-(2-phenylethyl)piperidine-3-carboxamide;formic acid
SMILESCN(C)C(=O)C1(Nc2ccccc2)CCCN(CCc2ccccc2)C1.O=CO
InChIInChI=1S/C22H29N3O.CH2O2/c1-24(2)21(26)22(23-20-12-7-4-8-13-20)15-9-16-25(18-22)17-14-19-10-5-3-6-11-19;2-1-3/h3-8,10-13,23H,9,14-18H2,1-2H3;1H,(H,2,3)
InChIKeyJNDJATWPXHNTAL-UHFFFAOYSA-N
XLogP2.96
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-anilino-N,N-dimethyl-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 155879167
3-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 155878831
3-anilino-1-[(2-cyanophenyl)methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 155878993
sodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride
CID 173365914
formic acid;(4R,5R)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
CID 154915709
3-anilino-N,N-dimethyl-1-(5-methylpyridine-3-carbonyl)piperidine-3-carboxamide
CID 155872887
3-anilino-N,N-dimethyl-1-(thiophene-3-carbonyl)piperidine-3-carboxamide
CID 155873086
(2R)-N,N,2-trimethyl-4-(2-phenylethyl)morpholine-2-carboxamide
CID 95839205
3-amino-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 117011828
1-[[1-(2-phenylethyl)piperidin-4-yl]amino]cyclobutane-1-carboxylic acid
CID 122556302
4-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155873379
4-anilino-1-[(2-fluorophenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155879946

Frequently Asked Questions

What is the IUPAC name of 3-anilino-N,N-dimethyl-1-(2-phenylethyl)piperidine-3-carboxamide;formic acid?
The IUPAC name of 3-anilino-N,N-dimethyl-1-(2-phenylethyl)piperidine-3-carboxamide;formic acid (CID 171692325) is 3-anilino-N,N-dimethyl-1-(2-phenylethyl)piperidine-3-carboxamide;formic acid.
What is the SMILES notation for 3-anilino-N,N-dimethyl-1-(2-phenylethyl)piperidine-3-carboxamide;formic acid?
The canonical SMILES for 3-anilino-N,N-dimethyl-1-(2-phenylethyl)piperidine-3-carboxamide;formic acid is CN(C)C(=O)C1(Nc2ccccc2)CCCN(CCc2ccccc2)C1.O=CO.
What is the InChIKey of 3-anilino-N,N-dimethyl-1-(2-phenylethyl)piperidine-3-carboxamide;formic acid?
The InChIKey is JNDJATWPXHNTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O.CH2O2/c1-24(2)21(26)22(23-20-12-7-4-8-13-20)15-9-16-25(18-22)17-14-19-10-5-3-6-11-19;2-1-3/h3-8,10-13,23H,9,14-18H2,1-2H3;1H,(H,2,3).
What are the key properties of 3-anilino-N,N-dimethyl-1-(2-phenylethyl)piperidine-3-carboxamide;formic acid?
3-anilino-N,N-dimethyl-1-(2-phenylethyl)piperidine-3-carboxamide;formic acid has a molecular weight of 397.52 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-N,N-dimethyl-1-(2-phenylethyl)piperidine-3-carboxamide;formic acid is sourced from PubChem (CID 171692325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).