(3S)-1-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide

C18H24N6O2 — CID 25371663

IUPAC(3S)-1-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCCN(C2CCOCC2)C1
InChIInChI=1S/C18H24N6O2/c25-18(14-3-2-8-23(12-14)16-6-9-26-10-7-16)20-15-4-1-5-17(11-15)24-13-19-21-22-24/h1,4-5,11,13-14,16H,2-3,6-10,12H2,(H,20,25)/t14-/m0/s1
InChIKeyYVZSPIWRSFEAJP-AWEZNQCLSA-N
MW356.43 g/mol
LogP1.49
Rot. Bonds4

About (3S)-1-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide

(3S)-1-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide (PubChem CID 25371663) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is (3S)-1-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
PubChem CID25371663
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC Name(3S)-1-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCCN(C2CCOCC2)C1
InChIInChI=1S/C18H24N6O2/c25-18(14-3-2-8-23(12-14)16-6-9-26-10-7-16)20-15-4-1-5-17(11-15)24-13-19-21-22-24/h1,4-5,11,13-14,16H,2-3,6-10,12H2,(H,20,25)/t14-/m0/s1
InChIKeyYVZSPIWRSFEAJP-AWEZNQCLSA-N
XLogP1.49
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(pyridin-4-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45233242
(3S)-N-[3-(tetrazol-1-yl)phenyl]-1-(thiophene-3-carbonyl)piperidine-3-carboxamide
CID 42214946
N-[3-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 43702817
1-(5-methyl-1,3-oxazole-4-carbonyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 72868592
1-(1-benzofuran-2-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45214258
1-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45250339
2-amino-2-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 120784046
1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45208952
N-[3-(tetrazol-1-yl)phenyl]oxan-4-amine
CID 43683923
(2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 25280698
2-amino-N-[3-(tetrazol-1-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119685776
(3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide
CID 125166963

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide (CID 25371663) is (3S)-1-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide is O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCCN(C2CCOCC2)C1.
What is the InChIKey of (3S)-1-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is YVZSPIWRSFEAJP-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N6O2/c25-18(14-3-2-8-23(12-14)16-6-9-26-10-7-16)20-15-4-1-5-17(11-15)24-13-19-21-22-24/h1,4-5,11,13-14,16H,2-3,6-10,12H2,(H,20,25)/t14-/m0/s1.
What are the key properties of (3S)-1-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?
(3S)-1-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 25371663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).