(3S)-N-[3-(tetrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-3-carboxamide

C18H18N6O2S — CID 42214946

IUPAC(3S)-N-[3-(tetrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCCN(C(=O)c2ccsc2)C1
InChIInChI=1S/C18H18N6O2S/c25-17(20-15-4-1-5-16(9-15)24-12-19-21-22-24)13-3-2-7-23(10-13)18(26)14-6-8-27-11-14/h1,4-6,8-9,11-13H,2-3,7,10H2,(H,20,25)/t13-/m0/s1
InChIKeyIEJGNRZGIWPDIO-ZDUSSCGKSA-N
MW382.45 g/mol
LogP2.21
Rot. Bonds4

About (3S)-N-[3-(tetrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-3-carboxamide

(3S)-N-[3-(tetrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-3-carboxamide (PubChem CID 42214946) has the molecular formula C18H18N6O2S and a molecular weight of 382.45 g/mol. Its IUPAC name is (3S)-N-[3-(tetrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(tetrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-3-carboxamide
PubChem CID42214946
Molecular FormulaC18H18N6O2S
Molecular Weight382.45 g/mol
Exact Mass382.12
IUPAC Name(3S)-N-[3-(tetrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCCN(C(=O)c2ccsc2)C1
InChIInChI=1S/C18H18N6O2S/c25-17(20-15-4-1-5-16(9-15)24-12-19-21-22-24)13-3-2-7-23(10-13)18(26)14-6-8-27-11-14/h1,4-6,8-9,11-13H,2-3,7,10H2,(H,20,25)/t13-/m0/s1
InChIKeyIEJGNRZGIWPDIO-ZDUSSCGKSA-N
XLogP2.21
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(5-methyl-1,3-oxazole-4-carbonyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 72868592
1-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45250339
(3S)-1-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 25371663
(3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113704
1-(pyridin-4-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45233242
N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 43702817
(3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide
CID 125166963
(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 110881986
1-(1-benzofuran-2-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45214258
[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 119490146
2-amino-N-[3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119685776
1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45208952

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(tetrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-(tetrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-3-carboxamide (CID 42214946) is (3S)-N-[3-(tetrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(tetrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(tetrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-3-carboxamide is O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCCN(C(=O)c2ccsc2)C1.
What is the InChIKey of (3S)-N-[3-(tetrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-3-carboxamide?
The InChIKey is IEJGNRZGIWPDIO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N6O2S/c25-17(20-15-4-1-5-16(9-15)24-12-19-21-22-24)13-3-2-7-23(10-13)18(26)14-6-8-27-11-14/h1,4-6,8-9,11-13H,2-3,7,10H2,(H,20,25)/t13-/m0/s1.
What are the key properties of (3S)-N-[3-(tetrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-3-carboxamide?
(3S)-N-[3-(tetrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-3-carboxamide has a molecular weight of 382.45 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(tetrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-3-carboxamide is sourced from PubChem (CID 42214946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).