4-N-[(2-chlorophenyl)methyl]-1-N,1-N,4-N-triethylpiperidine-1,4-dicarboxamide

C20H30ClN3O2 — CID 55683370

IUPAC4-N-[(2-chlorophenyl)methyl]-1-N,1-N,4-N-triethylpiperidine-1,4-dicarboxamide
SMILESCCN(Cc1ccccc1Cl)C(=O)C1CCN(C(=O)N(CC)CC)CC1
InChIInChI=1S/C20H30ClN3O2/c1-4-22(5-2)20(26)24-13-11-16(12-14-24)19(25)23(6-3)15-17-9-7-8-10-18(17)21/h7-10,16H,4-6,11-15H2,1-3H3
InChIKeyLLWHENQEWRITAW-UHFFFAOYSA-N
MW379.93 g/mol
LogP3.86
Rot. Bonds6

About 4-N-[(2-chlorophenyl)methyl]-1-N,1-N,4-N-triethylpiperidine-1,4-dicarboxamide

4-N-[(2-chlorophenyl)methyl]-1-N,1-N,4-N-triethylpiperidine-1,4-dicarboxamide (PubChem CID 55683370) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is 4-N-[(2-chlorophenyl)methyl]-1-N,1-N,4-N-triethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[(2-chlorophenyl)methyl]-1-N,1-N,4-N-triethylpiperidine-1,4-dicarboxamide
PubChem CID55683370
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Name4-N-[(2-chlorophenyl)methyl]-1-N,1-N,4-N-triethylpiperidine-1,4-dicarboxamide
SMILESCCN(Cc1ccccc1Cl)C(=O)C1CCN(C(=O)N(CC)CC)CC1
InChIInChI=1S/C20H30ClN3O2/c1-4-22(5-2)20(26)24-13-11-16(12-14-24)19(25)23(6-3)15-17-9-7-8-10-18(17)21/h7-10,16H,4-6,11-15H2,1-3H3
InChIKeyLLWHENQEWRITAW-UHFFFAOYSA-N
XLogP3.86
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-N-ethyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide
CID 52572588
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
N-[(2-chlorophenyl)methyl]-N-ethyl-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 60546030
1-[(2-chlorophenyl)methyl]-N-ethyl-N-(2-methylprop-2-enyl)piperidine-4-carboxamide
CID 5024402
N-[(2-chlorophenyl)methyl]-N-ethyl-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 60553019
N-benzyl-1-[(2-chlorophenyl)methyl]-N-ethylpiperidin-1-ium-4-carboxamide
CID 7334890
N-[(2-chlorophenyl)methyl]-2-cyclopentyl-N-ethylacetamide
CID 78852823
methyl 4-[benzyl(ethyl)carbamoyl]piperidine-1-carboxylate
CID 110754107
N-[(2-chlorophenyl)methyl]-N-ethyl-2,2-difluoroacetamide
CID 103514772
(2R,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 93370537
(2S,4S)-N-[(2-chlorophenyl)methyl]-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 93370536
N-[(2-chlorophenyl)methyl]-N-methylpiperidine-1-carboxamide
CID 115578615

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2-chlorophenyl)methyl]-1-N,1-N,4-N-triethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[(2-chlorophenyl)methyl]-1-N,1-N,4-N-triethylpiperidine-1,4-dicarboxamide (CID 55683370) is 4-N-[(2-chlorophenyl)methyl]-1-N,1-N,4-N-triethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[(2-chlorophenyl)methyl]-1-N,1-N,4-N-triethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[(2-chlorophenyl)methyl]-1-N,1-N,4-N-triethylpiperidine-1,4-dicarboxamide is CCN(Cc1ccccc1Cl)C(=O)C1CCN(C(=O)N(CC)CC)CC1.
What is the InChIKey of 4-N-[(2-chlorophenyl)methyl]-1-N,1-N,4-N-triethylpiperidine-1,4-dicarboxamide?
The InChIKey is LLWHENQEWRITAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30ClN3O2/c1-4-22(5-2)20(26)24-13-11-16(12-14-24)19(25)23(6-3)15-17-9-7-8-10-18(17)21/h7-10,16H,4-6,11-15H2,1-3H3.
What are the key properties of 4-N-[(2-chlorophenyl)methyl]-1-N,1-N,4-N-triethylpiperidine-1,4-dicarboxamide?
4-N-[(2-chlorophenyl)methyl]-1-N,1-N,4-N-triethylpiperidine-1,4-dicarboxamide has a molecular weight of 379.93 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-chlorophenyl)methyl]-1-N,1-N,4-N-triethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 55683370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).