1-[2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetyl]piperidine-3-carboxamide

C15H17ClN6O3 — CID 43058544

IUPAC1-[2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)Cn2nnn(-c3ccccc3Cl)c2=O)C1
InChIInChI=1S/C15H17ClN6O3/c16-11-5-1-2-6-12(11)22-15(25)21(18-19-22)9-13(23)20-7-3-4-10(8-20)14(17)24/h1-2,5-6,10H,3-4,7-9H2,(H2,17,24)
InChIKeyIRSRHSCOHZLMBD-UHFFFAOYSA-N
MW364.79 g/mol
LogP-0.19
Rot. Bonds4

About 1-[2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetyl]piperidine-3-carboxamide

1-[2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetyl]piperidine-3-carboxamide (PubChem CID 43058544) has the molecular formula C15H17ClN6O3 and a molecular weight of 364.79 g/mol. Its IUPAC name is 1-[2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetyl]piperidine-3-carboxamide
PubChem CID43058544
Molecular FormulaC15H17ClN6O3
Molecular Weight364.79 g/mol
Exact Mass364.11
IUPAC Name1-[2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)Cn2nnn(-c3ccccc3Cl)c2=O)C1
InChIInChI=1S/C15H17ClN6O3/c16-11-5-1-2-6-12(11)22-15(25)21(18-19-22)9-13(23)20-7-3-4-10(8-20)14(17)24/h1-2,5-6,10H,3-4,7-9H2,(H2,17,24)
InChIKeyIRSRHSCOHZLMBD-UHFFFAOYSA-N
XLogP-0.19
TPSA116.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]tetrazol-5-one
CID 24578921
1-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]-4-phenyltetrazol-5-one
CID 9379927
1-(2-chlorophenyl)-4-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]tetrazol-5-one
CID 41402611
1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-3-carboxamide
CID 51075869
1-[2-(1-adamantyl)-2-oxoethyl]-4-(2-chlorophenyl)tetrazol-5-one
CID 41402474
(3R)-1-[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94178599
1-[2-[2-(2-chlorophenyl)piperazin-1-yl]acetyl]piperidine-3-carboxamide
CID 120757324
(3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide
CID 94164959
2-(2-chlorophenyl)-4-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenyl-1,2,4-triazol-3-one
CID 70708002
2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]-N-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 37238219
(3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94486409
(3S)-1-[(Z)-3-(2-chlorophenyl)but-2-enoyl]piperidine-3-carboxamide
CID 95298160

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetyl]piperidine-3-carboxamide (CID 43058544) is 1-[2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)Cn2nnn(-c3ccccc3Cl)c2=O)C1.
What is the InChIKey of 1-[2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetyl]piperidine-3-carboxamide?
The InChIKey is IRSRHSCOHZLMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6O3/c16-11-5-1-2-6-12(11)22-15(25)21(18-19-22)9-13(23)20-7-3-4-10(8-20)14(17)24/h1-2,5-6,10H,3-4,7-9H2,(H2,17,24).
What are the key properties of 1-[2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetyl]piperidine-3-carboxamide?
1-[2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetyl]piperidine-3-carboxamide has a molecular weight of 364.79 g/mol, XLogP of -0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 43058544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).