1-[4-(3-methylphenoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone

C21H23N5O2 — CID 70767696

IUPAC1-[4-(3-methylphenoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
SMILESCc1cccc(OC2CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)c1
InChIInChI=1S/C21H23N5O2/c1-16-3-2-4-20(13-16)28-19-9-11-25(12-10-19)21(27)14-17-5-7-18(8-6-17)26-15-22-23-24-26/h2-8,13,15,19H,9-12,14H2,1H3
InChIKeyJBTFBTJBJPHLIJ-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.58
Rot. Bonds5

About 1-[4-(3-methylphenoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone

1-[4-(3-methylphenoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone (PubChem CID 70767696) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-[4-(3-methylphenoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-(3-methylphenoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
PubChem CID70767696
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name1-[4-(3-methylphenoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
SMILESCc1cccc(OC2CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)c1
InChIInChI=1S/C21H23N5O2/c1-16-3-2-4-20(13-16)28-19-9-11-25(12-10-19)21(27)14-17-5-7-18(8-6-17)26-15-22-23-24-26/h2-8,13,15,19H,9-12,14H2,1H3
InChIKeyJBTFBTJBJPHLIJ-UHFFFAOYSA-N
XLogP2.58
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(3-methylphenoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone with MolForge

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Related Compounds

1-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 78865874
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 111561769
1-[4-(aminomethyl)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone;hydrochloride
CID 119423814
2-(2-amino-4,6-dimethylpyrimidin-5-yl)-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70735971
2-methoxy-1-[4-(3-methylphenoxy)piperidin-1-yl]ethanone
CID 70746806
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 55631974
1-(4-propylpiperazin-1-yl)-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 39734467
1-[3-(cyclopropylmethoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone
CID 136533491
N-benzyl-1-[2-[4-(tetrazol-1-yl)phenyl]acetyl]piperidine-4-carboxamide
CID 78858542
1-[4-(3-methylphenoxy)piperidin-1-yl]-3-(3-methylpyrazol-1-yl)propan-1-one
CID 70707041
methyl N-[2-[4-(3-methylphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70757574
1-(4-methylpiperidin-1-yl)-2-[3-(tetrazol-1-yl)phenoxy]ethanone
CID 7769219

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methylphenoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?
The IUPAC name of 1-[4-(3-methylphenoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone (CID 70767696) is 1-[4-(3-methylphenoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone.
What is the SMILES notation for 1-[4-(3-methylphenoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?
The canonical SMILES for 1-[4-(3-methylphenoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone is Cc1cccc(OC2CCN(C(=O)Cc3ccc(-n4cnnn4)cc3)CC2)c1.
What is the InChIKey of 1-[4-(3-methylphenoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?
The InChIKey is JBTFBTJBJPHLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-16-3-2-4-20(13-16)28-19-9-11-25(12-10-19)21(27)14-17-5-7-18(8-6-17)26-15-22-23-24-26/h2-8,13,15,19H,9-12,14H2,1H3.
What are the key properties of 1-[4-(3-methylphenoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone?
1-[4-(3-methylphenoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone has a molecular weight of 377.45 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methylphenoxy)piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenyl]ethanone is sourced from PubChem (CID 70767696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).