1-N-(3-chloro-2,6-diethylphenyl)piperidine-1,3-dicarboxamide

C17H24ClN3O2 — CID 126805479

IUPAC1-N-(3-chloro-2,6-diethylphenyl)piperidine-1,3-dicarboxamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C17H24ClN3O2/c1-3-11-7-8-14(18)13(4-2)15(11)20-17(23)21-9-5-6-12(10-21)16(19)22/h7-8,12H,3-6,9-10H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyJBSWRYWPVFTAPY-UHFFFAOYSA-N
MW337.85 g/mol
LogP3.19
Rot. Bonds4

About 1-N-(3-chloro-2,6-diethylphenyl)piperidine-1,3-dicarboxamide

1-N-(3-chloro-2,6-diethylphenyl)piperidine-1,3-dicarboxamide (PubChem CID 126805479) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 1-N-(3-chloro-2,6-diethylphenyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(3-chloro-2,6-diethylphenyl)piperidine-1,3-dicarboxamide
PubChem CID126805479
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name1-N-(3-chloro-2,6-diethylphenyl)piperidine-1,3-dicarboxamide
SMILESCCc1ccc(Cl)c(CC)c1NC(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C17H24ClN3O2/c1-3-11-7-8-14(18)13(4-2)15(11)20-17(23)21-9-5-6-12(10-21)16(19)22/h7-8,12H,3-6,9-10H2,1-2H3,(H2,19,22)(H,20,23)
InChIKeyJBSWRYWPVFTAPY-UHFFFAOYSA-N
XLogP3.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chloro-2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101876
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630
2-[[1-[(3-chloro-2,6-diethylphenyl)carbamoyl]piperidin-4-yl]-ethylamino]acetic acid
CID 122074115
(3S)-1-[2-(2-ethylphenyl)acetyl]piperidine-3-carboxamide
CID 172675194
(3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide
CID 94164959
(3R)-1-[(2,6-dichloro-3-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81127901
1-N-(2-methoxy-6-methylphenyl)piperidine-1,3-dicarboxamide
CID 119053091
(3S)-1-N-(3-chloro-2-methyl-4-pyridinyl)piperidine-1,3-dicarboxamide
CID 129359179
(3S)-1-N-[2-(methoxymethyl)phenyl]piperidine-1,3-dicarboxamide
CID 172675108
(3S)-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 7333045
1-(hydrazinecarbonyl)piperidine-3-carboxamide
CID 43164061
(3R)-1-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 51458679

Frequently Asked Questions

What is the IUPAC name of 1-N-(3-chloro-2,6-diethylphenyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-(3-chloro-2,6-diethylphenyl)piperidine-1,3-dicarboxamide (CID 126805479) is 1-N-(3-chloro-2,6-diethylphenyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(3-chloro-2,6-diethylphenyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-(3-chloro-2,6-diethylphenyl)piperidine-1,3-dicarboxamide is CCc1ccc(Cl)c(CC)c1NC(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-N-(3-chloro-2,6-diethylphenyl)piperidine-1,3-dicarboxamide?
The InChIKey is JBSWRYWPVFTAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-3-11-7-8-14(18)13(4-2)15(11)20-17(23)21-9-5-6-12(10-21)16(19)22/h7-8,12H,3-6,9-10H2,1-2H3,(H2,19,22)(H,20,23).
What are the key properties of 1-N-(3-chloro-2,6-diethylphenyl)piperidine-1,3-dicarboxamide?
1-N-(3-chloro-2,6-diethylphenyl)piperidine-1,3-dicarboxamide has a molecular weight of 337.85 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(3-chloro-2,6-diethylphenyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 126805479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).