(4-phenoxyphenyl)-[1-[2-(2H-tetrazol-5-yl)ethyl]piperidin-3-yl]methanone

C21H23N5O2 — CID 56868361

IUPAC(4-phenoxyphenyl)-[1-[2-(2H-tetrazol-5-yl)ethyl]piperidin-3-yl]methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)C1CCCN(CCc2nn[nH]n2)C1
InChIInChI=1S/C21H23N5O2/c27-21(16-8-10-19(11-9-16)28-18-6-2-1-3-7-18)17-5-4-13-26(15-17)14-12-20-22-24-25-23-20/h1-3,6-11,17H,4-5,12-15H2,(H,22,23,24,25)
InChIKeyBTNANUHWPVMISU-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.13
Rot. Bonds7

About (4-phenoxyphenyl)-[1-[2-(2H-tetrazol-5-yl)ethyl]piperidin-3-yl]methanone

(4-phenoxyphenyl)-[1-[2-(2H-tetrazol-5-yl)ethyl]piperidin-3-yl]methanone (PubChem CID 56868361) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is (4-phenoxyphenyl)-[1-[2-(2H-tetrazol-5-yl)ethyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-phenoxyphenyl)-[1-[2-(2H-tetrazol-5-yl)ethyl]piperidin-3-yl]methanone
PubChem CID56868361
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name(4-phenoxyphenyl)-[1-[2-(2H-tetrazol-5-yl)ethyl]piperidin-3-yl]methanone
SMILESO=C(c1ccc(Oc2ccccc2)cc1)C1CCCN(CCc2nn[nH]n2)C1
InChIInChI=1S/C21H23N5O2/c27-21(16-8-10-19(11-9-16)28-18-6-2-1-3-7-18)17-5-4-13-26(15-17)14-12-20-22-24-25-23-20/h1-3,6-11,17H,4-5,12-15H2,(H,22,23,24,25)
InChIKeyBTNANUHWPVMISU-UHFFFAOYSA-N
XLogP3.13
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(4-phenoxybenzoyl)piperidin-1-yl]propanamide
CID 56863001
N-[2-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethyl]acetamide
CID 95415351
(4-phenoxyphenyl)-[1-(3-pyrazol-1-ylpropyl)piperidin-3-yl]methanone
CID 45229638
[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 29185356
[1-(1-ethylpiperidin-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 45195996
phenyl-(1-propylpiperidin-3-yl)methanone
CID 91406553
(4-phenoxyphenyl)-[1-(pyridine-4-carbonyl)piperidin-3-yl]methanone
CID 45178915
2-methylsulfanyl-1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]ethanone
CID 42306399
1-[(3R)-3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 42094086
[1-(oxan-4-yl)piperidin-3-yl]-(4-phenoxyphenyl)methanone
CID 45219197
(4-phenoxyphenyl)-[1-(pyridine-3-carbonyl)piperidin-3-yl]methanone
CID 45205792
1-[3-(4-phenoxybenzoyl)piperidin-1-yl]-3-pyrazin-2-ylpropan-1-one
CID 45241198

Frequently Asked Questions

What is the IUPAC name of (4-phenoxyphenyl)-[1-[2-(2H-tetrazol-5-yl)ethyl]piperidin-3-yl]methanone?
The IUPAC name of (4-phenoxyphenyl)-[1-[2-(2H-tetrazol-5-yl)ethyl]piperidin-3-yl]methanone (CID 56868361) is (4-phenoxyphenyl)-[1-[2-(2H-tetrazol-5-yl)ethyl]piperidin-3-yl]methanone.
What is the SMILES notation for (4-phenoxyphenyl)-[1-[2-(2H-tetrazol-5-yl)ethyl]piperidin-3-yl]methanone?
The canonical SMILES for (4-phenoxyphenyl)-[1-[2-(2H-tetrazol-5-yl)ethyl]piperidin-3-yl]methanone is O=C(c1ccc(Oc2ccccc2)cc1)C1CCCN(CCc2nn[nH]n2)C1.
What is the InChIKey of (4-phenoxyphenyl)-[1-[2-(2H-tetrazol-5-yl)ethyl]piperidin-3-yl]methanone?
The InChIKey is BTNANUHWPVMISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-21(16-8-10-19(11-9-16)28-18-6-2-1-3-7-18)17-5-4-13-26(15-17)14-12-20-22-24-25-23-20/h1-3,6-11,17H,4-5,12-15H2,(H,22,23,24,25).
What are the key properties of (4-phenoxyphenyl)-[1-[2-(2H-tetrazol-5-yl)ethyl]piperidin-3-yl]methanone?
(4-phenoxyphenyl)-[1-[2-(2H-tetrazol-5-yl)ethyl]piperidin-3-yl]methanone has a molecular weight of 377.45 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenoxyphenyl)-[1-[2-(2H-tetrazol-5-yl)ethyl]piperidin-3-yl]methanone is sourced from PubChem (CID 56868361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).