1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]-N,N-diethylpiperidine-3-carboxamide

C18H22Cl2N6O3 — CID 58502065

IUPAC1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)n2nnn(-c3c(Cl)cccc3Cl)c2=O)C1
InChIInChI=1S/C18H22Cl2N6O3/c1-3-23(4-2)16(27)12-7-6-10-24(11-12)17(28)26-18(29)25(21-22-26)15-13(19)8-5-9-14(15)20/h5,8-9,12H,3-4,6-7,10-11H2,1-2H3
InChIKeySLKBRFXDLGZAQK-UHFFFAOYSA-N
MW441.32 g/mol
LogP2.28
Rot. Bonds4

About 1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]-N,N-diethylpiperidine-3-carboxamide

1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]-N,N-diethylpiperidine-3-carboxamide (PubChem CID 58502065) has the molecular formula C18H22Cl2N6O3 and a molecular weight of 441.32 g/mol. Its IUPAC name is 1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]-N,N-diethylpiperidine-3-carboxamide
PubChem CID58502065
Molecular FormulaC18H22Cl2N6O3
Molecular Weight441.32 g/mol
Exact Mass440.11
IUPAC Name1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(C(=O)n2nnn(-c3c(Cl)cccc3Cl)c2=O)C1
InChIInChI=1S/C18H22Cl2N6O3/c1-3-23(4-2)16(27)12-7-6-10-24(11-12)17(28)26-18(29)25(21-22-26)15-13(19)8-5-9-14(15)20/h5,8-9,12H,3-4,6-7,10-11H2,1-2H3
InChIKeySLKBRFXDLGZAQK-UHFFFAOYSA-N
XLogP2.28
TPSA93.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'amidotetrazole', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]pyrrolidin-3-yl]acetamide
CID 76806151
1-N-[3-[[3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3574463
1-(2,4-dichlorobenzoyl)-N,N-diethylpiperidine-3-carboxamide
CID 42695501
N,N-diethyl-1-(imidazole-1-carbonyl)piperidine-3-carboxamide
CID 141127866
1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3697126
(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948
(3R)-1-[(2-chloro-6-fluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 756890
(3R)-1-[[4-[[(3R)-3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide;dihydrobromide
CID 3072460
1-(benzhydrylcarbamothioyl)-N,N-diethylpiperidine-3-carboxamide
CID 3785270
N-(3-aminopropyl)-N-cyclohexyl-4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carboxamide
CID 70668249
(3R)-N,N-diethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 26457997
N,N-diethyl-1-(2H-triazole-4-carbonyl)piperidine-3-carboxamide
CID 74232620

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]-N,N-diethylpiperidine-3-carboxamide (CID 58502065) is 1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(C(=O)n2nnn(-c3c(Cl)cccc3Cl)c2=O)C1.
What is the InChIKey of 1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is SLKBRFXDLGZAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N6O3/c1-3-23(4-2)16(27)12-7-6-10-24(11-12)17(28)26-18(29)25(21-22-26)15-13(19)8-5-9-14(15)20/h5,8-9,12H,3-4,6-7,10-11H2,1-2H3.
What are the key properties of 1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]-N,N-diethylpiperidine-3-carboxamide?
1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 441.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dichlorophenyl)-5-oxotetrazole-1-carbonyl]-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 58502065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).