1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one

C17H23N5O3 — CID 70729575

IUPAC1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
SMILESCOc1ccc(OC2CCN(C(=O)CCn3nnnc3C)CC2)cc1
InChIInChI=1S/C17H23N5O3/c1-13-18-19-20-22(13)12-9-17(23)21-10-7-16(8-11-21)25-15-5-3-14(24-2)4-6-15/h3-6,16H,7-12H2,1-2H3
InChIKeySMDCYASZDJHWGQ-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.45
Rot. Bonds6

About 1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one

1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one (PubChem CID 70729575) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
PubChem CID70729575
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
SMILESCOc1ccc(OC2CCN(C(=O)CCn3nnnc3C)CC2)cc1
InChIInChI=1S/C17H23N5O3/c1-13-18-19-20-22(13)12-9-17(23)21-10-7-16(8-11-21)25-15-5-3-14(24-2)4-6-15/h3-6,16H,7-12H2,1-2H3
InChIKeySMDCYASZDJHWGQ-UHFFFAOYSA-N
XLogP1.45
TPSA82.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]piperidin-2-one
CID 70708600
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
3-(5-methyltetrazol-1-yl)-1-piperazin-1-ylpropan-1-one
CID 82509687
1-[4-(3-methylphenyl)sulfanylpiperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 118787851
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 110396864
2-(2-hydroxyphenyl)-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70729934
1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-(tetrazol-1-yl)propan-1-one
CID 70711037
(5S)-5-[3-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 95873697
cyclopropyl-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396800
[4-(4-methoxyphenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396821
2-[3-[4-(4-methylphenoxy)piperidin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 110397075
1-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 125156811

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one (CID 70729575) is 1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one is COc1ccc(OC2CCN(C(=O)CCn3nnnc3C)CC2)cc1.
What is the InChIKey of 1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
The InChIKey is SMDCYASZDJHWGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-13-18-19-20-22(13)12-9-17(23)21-10-7-16(8-11-21)25-15-5-3-14(24-2)4-6-15/h3-6,16H,7-12H2,1-2H3.
What are the key properties of 1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one?
1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one has a molecular weight of 345.40 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methoxyphenoxy)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one is sourced from PubChem (CID 70729575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).