1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide

C17H25N3O2 — CID 42865414

IUPAC1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide
SMILESCCNC(=O)C1CC(c2ccccc2)CN(C(=O)NCC)C1
InChIInChI=1S/C17H25N3O2/c1-3-18-16(21)15-10-14(13-8-6-5-7-9-13)11-20(12-15)17(22)19-4-2/h5-9,14-15H,3-4,10-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyNTGMGUSWRSYOKS-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.96
Rot. Bonds4

About 1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide

1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide (PubChem CID 42865414) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide
PubChem CID42865414
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide
SMILESCCNC(=O)C1CC(c2ccccc2)CN(C(=O)NCC)C1
InChIInChI=1S/C17H25N3O2/c1-3-18-16(21)15-10-14(13-8-6-5-7-9-13)11-20(12-15)17(22)19-4-2/h5-9,14-15H,3-4,10-12H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyNTGMGUSWRSYOKS-UHFFFAOYSA-N
XLogP1.96
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-cyclopropyl-1-N-ethyl-5-phenylpiperidine-1,3-dicarboxamide
CID 42865415
1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 46065014
(3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 92994765
1-N-ethyl-5-phenyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 42865475
(3R,5R)-1-N-butyl-5-phenyl-3-N-(2-pyrrolidin-1-ylethyl)piperidine-1,3-dicarboxamide
CID 92995666
3-N-benzyl-5-(3,4-dimethoxyphenyl)-1-N-ethylpiperidine-1,3-dicarboxamide
CID 46065367
(2S,4S)-N-ethyl-2-methyl-4-phenylpyrrolidine-1-carboxamide
CID 101423033
1-N-benzyl-3-N-(furan-2-ylmethyl)-5-phenylpiperidine-1,3-dicarboxamide
CID 46065319
(3S,5S)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994782
(3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994779
5-(3,4-dimethoxyphenyl)-1-(ethylcarbamoyl)piperidine-3-carboxylic acid
CID 42865225
(3R,5S)-1-N-ethyl-5-(4-fluoro-3-methylphenyl)-3-N-[(3-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 92996923

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide (CID 42865414) is 1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide is CCNC(=O)C1CC(c2ccccc2)CN(C(=O)NCC)C1.
What is the InChIKey of 1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide?
The InChIKey is NTGMGUSWRSYOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-18-16(21)15-10-14(13-8-6-5-7-9-13)11-20(12-15)17(22)19-4-2/h5-9,14-15H,3-4,10-12H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide?
1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 42865414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).