1-(1-benzofuran-2-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide

C22H22N6O2 — CID 45214258

IUPAC1-(1-benzofuran-2-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)C1CCCN(Cc2cc3ccccc3o2)C1
InChIInChI=1S/C22H22N6O2/c29-22(24-18-7-3-8-19(12-18)28-15-23-25-26-28)17-6-4-10-27(13-17)14-20-11-16-5-1-2-9-21(16)30-20/h1-3,5,7-9,11-12,15,17H,4,6,10,13-14H2,(H,24,29)
InChIKeyDFRMRSDFQBUSLL-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.26
Rot. Bonds5

About 1-(1-benzofuran-2-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide

1-(1-benzofuran-2-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide (PubChem CID 45214258) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 1-(1-benzofuran-2-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1-benzofuran-2-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
PubChem CID45214258
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name1-(1-benzofuran-2-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1cccc(-n2cnnn2)c1)C1CCCN(Cc2cc3ccccc3o2)C1
InChIInChI=1S/C22H22N6O2/c29-22(24-18-7-3-8-19(12-18)28-15-23-25-26-28)17-6-4-10-27(13-17)14-20-11-16-5-1-2-9-21(16)30-20/h1-3,5,7-9,11-12,15,17H,4,6,10,13-14H2,(H,24,29)
InChIKeyDFRMRSDFQBUSLL-UHFFFAOYSA-N
XLogP3.26
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 53.26
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)-1-(oxan-4-yl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 25371663
1-[(E)-3-(4-methoxyphenyl)prop-2-enyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45208952
1-(1-benzofuran-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45217335
(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-[2-(3-chlorophenyl)acetyl]-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide
CID 45250339
1-[(3,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 45246019
(2S)-1-(3-methylbutyl)-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 25280698
1-(1,2-oxazol-3-ylmethyl)-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45193960
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-(1-benzofuran-2-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide (CID 45214258) is 1-(1-benzofuran-2-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(1-benzofuran-2-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(1-benzofuran-2-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide is O=C(Nc1cccc(-n2cnnn2)c1)C1CCCN(Cc2cc3ccccc3o2)C1.
What is the InChIKey of 1-(1-benzofuran-2-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?
The InChIKey is DFRMRSDFQBUSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c29-22(24-18-7-3-8-19(12-18)28-15-23-25-26-28)17-6-4-10-27(13-17)14-20-11-16-5-1-2-9-21(16)30-20/h1-3,5,7-9,11-12,15,17H,4,6,10,13-14H2,(H,24,29).
What are the key properties of 1-(1-benzofuran-2-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide?
1-(1-benzofuran-2-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-ylmethyl)-N-[3-(tetrazol-1-yl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 45214258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).