1-(1-benzofuran-2-ylmethyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide

C22H22N6O2 — CID 45230525

IUPAC1-(1-benzofuran-2-ylmethyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)C1CCN(Cc2cc3ccccc3o2)CC1
InChIInChI=1S/C22H22N6O2/c29-22(24-18-5-7-19(8-6-18)28-15-23-25-26-28)16-9-11-27(12-10-16)14-20-13-17-3-1-2-4-21(17)30-20/h1-8,13,15-16H,9-12,14H2,(H,24,29)
InChIKeyAJZUTEQNUWBQQE-UHFFFAOYSA-N
MW402.46 g/mol
LogP3.26
Rot. Bonds5

About 1-(1-benzofuran-2-ylmethyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide

1-(1-benzofuran-2-ylmethyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide (PubChem CID 45230525) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 1-(1-benzofuran-2-ylmethyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-benzofuran-2-ylmethyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
PubChem CID45230525
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name1-(1-benzofuran-2-ylmethyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-n2cnnn2)cc1)C1CCN(Cc2cc3ccccc3o2)CC1
InChIInChI=1S/C22H22N6O2/c29-22(24-18-5-7-19(8-6-18)28-15-23-25-26-28)16-9-11-27(12-10-16)14-20-13-17-3-1-2-4-21(17)30-20/h1-8,13,15-16H,9-12,14H2,(H,24,29)
InChIKeyAJZUTEQNUWBQQE-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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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-ylmethyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(1-benzofuran-2-ylmethyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide (CID 45230525) is 1-(1-benzofuran-2-ylmethyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-benzofuran-2-ylmethyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1-benzofuran-2-ylmethyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide is O=C(Nc1ccc(-n2cnnn2)cc1)C1CCN(Cc2cc3ccccc3o2)CC1.
What is the InChIKey of 1-(1-benzofuran-2-ylmethyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is AJZUTEQNUWBQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c29-22(24-18-5-7-19(8-6-18)28-15-23-25-26-28)16-9-11-27(12-10-16)14-20-13-17-3-1-2-4-21(17)30-20/h1-8,13,15-16H,9-12,14H2,(H,24,29).
What are the key properties of 1-(1-benzofuran-2-ylmethyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide?
1-(1-benzofuran-2-ylmethyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-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-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 45230525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).