1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide

C17H24ClN3O2 — CID 3697126

IUPAC1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H24ClN3O2/c1-3-20(4-2)16(22)13-6-5-11-21(12-13)17(23)19-15-9-7-14(18)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,23)
InChIKeyVEDLFBKTISXHGU-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.45
Rot. Bonds4

About 1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide

1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide (PubChem CID 3697126) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
PubChem CID3697126
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)Nc2ccc(Cl)cc2)C1
InChIInChI=1S/C17H24ClN3O2/c1-3-20(4-2)16(22)13-6-5-11-21(12-13)17(23)19-15-9-7-14(18)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,23)
InChIKeyVEDLFBKTISXHGU-UHFFFAOYSA-N
XLogP3.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948
1-N-[3-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3574463
methyl (3S)-1-[(4-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039467
1-N-(2,1,3-benzothiadiazol-5-yl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 2925009
3-N,3-N-diethyl-1-N-(2-methyl-1-benzofuran-5-yl)piperidine-1,3-dicarboxamide
CID 72859203
3-N-[(5-chlorothiophen-2-yl)methyl]-3-N-ethyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 24655711
3-N,3-N-diethyl-1-N-(3-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 3872908
1-N-(2,4-difluorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 42695569
1-(2,4-dichlorobenzoyl)-N,N-diethylpiperidine-3-carboxamide
CID 42695501
(3R)-3-N-(4-chlorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9073266
3-N-[2-(diethylamino)-2-oxoethyl]-3-N-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51328766
N-(4-chlorophenyl)-3-(diethylamino)pyrrolidine-1-carboxamide
CID 110446851

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide (CID 3697126) is 1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide is CCN(CC)C(=O)C1CCCN(C(=O)Nc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide?
The InChIKey is VEDLFBKTISXHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-3-20(4-2)16(22)13-6-5-11-21(12-13)17(23)19-15-9-7-14(18)8-10-15/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,23).
What are the key properties of 1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide?
1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide has a molecular weight of 337.85 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 3697126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).