[4-(tetrazol-1-yl)phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate

C18H17N5O3S — CID 39964664

IUPAC[4-(tetrazol-1-yl)phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
SMILESO=C(Oc1ccc(-n2cnnn2)cc1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C18H17N5O3S/c24-17(16-2-1-11-27-16)22-9-7-13(8-10-22)18(25)26-15-5-3-14(4-6-15)23-12-19-20-21-23/h1-6,11-13H,7-10H2
InChIKeyYJKICAVNRQMACJ-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.18
Rot. Bonds4

About [4-(tetrazol-1-yl)phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate

[4-(tetrazol-1-yl)phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate (PubChem CID 39964664) has the molecular formula C18H17N5O3S and a molecular weight of 383.43 g/mol. Its IUPAC name is [4-(tetrazol-1-yl)phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[4-(tetrazol-1-yl)phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
PubChem CID39964664
Molecular FormulaC18H17N5O3S
Molecular Weight383.43 g/mol
Exact Mass383.11
IUPAC Name[4-(tetrazol-1-yl)phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
SMILESO=C(Oc1ccc(-n2cnnn2)cc1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C18H17N5O3S/c24-17(16-2-1-11-27-16)22-9-7-13(8-10-22)18(25)26-15-5-3-14(4-6-15)23-12-19-20-21-23/h1-6,11-13H,7-10H2
InChIKeyYJKICAVNRQMACJ-UHFFFAOYSA-N
XLogP2.18
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(4-chlorophenyl) 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 27844069
[4-[methyl-(4-methylbenzoyl)amino]phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 33188030
1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 750217
dibenzofuran-2-yl 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 32991028
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
(4-methoxyphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 25474112
[4-(2-oxopyrrolidin-1-yl)phenyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate
CID 134003228
(4-methylphenyl)-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]methanone
CID 55956327
azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone
CID 47006518
[4-(1,3,4-thiadiazol-2-yloxy)piperidin-1-yl]-thiophen-2-ylmethanone
CID 131703387
[1-(4-methoxybenzoyl)piperidin-4-yl]-thiophen-2-ylmethanone
CID 110394349
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 27261466

Frequently Asked Questions

What is the IUPAC name of [4-(tetrazol-1-yl)phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate?
The IUPAC name of [4-(tetrazol-1-yl)phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate (CID 39964664) is [4-(tetrazol-1-yl)phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for [4-(tetrazol-1-yl)phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for [4-(tetrazol-1-yl)phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate is O=C(Oc1ccc(-n2cnnn2)cc1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of [4-(tetrazol-1-yl)phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate?
The InChIKey is YJKICAVNRQMACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3S/c24-17(16-2-1-11-27-16)22-9-7-13(8-10-22)18(25)26-15-5-3-14(4-6-15)23-12-19-20-21-23/h1-6,11-13H,7-10H2.
What are the key properties of [4-(tetrazol-1-yl)phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate?
[4-(tetrazol-1-yl)phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate has a molecular weight of 383.43 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(tetrazol-1-yl)phenyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 39964664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).