3-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

C16H22ClN3O2 — CID 3244350

IUPAC3-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C16H22ClN3O2/c1-19(2)16(22)20-9-5-7-13(11-20)15(21)18-10-12-6-3-4-8-14(12)17/h3-4,6,8,13H,5,7,9-11H2,1-2H3,(H,18,21)
InChIKeyGBRCGUCIUKVZSC-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.35
Rot. Bonds3

About 3-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide

3-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (PubChem CID 3244350) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 3-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
PubChem CID3244350
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name3-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
SMILESCN(C)C(=O)N1CCCC(C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C16H22ClN3O2/c1-19(2)16(22)20-9-5-7-13(11-20)15(21)18-10-12-6-3-4-8-14(12)17/h3-4,6,8,13H,5,7,9-11H2,1-2H3,(H,18,21)
InChIKeyGBRCGUCIUKVZSC-UHFFFAOYSA-N
XLogP2.35
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(S)-Amino-4-(2-chloro-benzylamino)-1-piperidin-1-yl-butan-1-one
CID 11232123
N-[(2-chlorophenyl)methyl]pentanamide
CID 2218154
1-(4-chlorobenzyl)tetrahydropyrimidin-2(1H)-one
CID 5076487
(S)-2-Amino-4-(4-chloro-benzylamino)-1-(4-methyl-piperidin-1-yl)-butan-1-one
CID 10403949
(2S,4S)-4-(4-chlorobenzylamino)-2-amino-1-(piperidin-1-yl)pentan-1-one
CID 16046127
1-[4-(2-Chloro-benzyl)-piperazin-1-yl]-3-methyl-butan-1-one
CID 773315
1-N-benzyl-3-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 3222825
1-[4-[(4-Chlorobenzoyl)amino]butanoyl]piperidine-3-carboxamide
CID 16323002
2-chloro-N-[3-(3-methyl-1-piperidinyl)-3-oxopropyl]benzamide
CID 18135825
2-chloro-N-[3-(3,5-dimethylpiperidin-1-yl)-3-oxopropyl]benzamide
CID 24818329
N-(1-benzylpiperidin-4-yl)-2-(2-chlorophenyl)acetamide
CID 10736122
N1-(2,4-dichlorobenzyl)-N4-(2-(pyrrolidin-1-yl)ethyl)piperidine-1,4-dicarboxamide
CID 24748516

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide (CID 3244350) is 3-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is CN(C)C(=O)N1CCCC(C(=O)NCc2ccccc2Cl)C1.
What is the InChIKey of 3-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
The InChIKey is GBRCGUCIUKVZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-19(2)16(22)20-9-5-7-13(11-20)15(21)18-10-12-6-3-4-8-14(12)17/h3-4,6,8,13H,5,7,9-11H2,1-2H3,(H,18,21).
What are the key properties of 3-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide?
3-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide has a molecular weight of 323.82 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-chlorophenyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 3244350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).