1-[2-(4-fluorophenyl)piperidin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone

C19H27FN6O — CID 45235837

IUPAC1-[2-(4-fluorophenyl)piperidin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone
SMILESCC(C)N(C)Cc1nnnn1CC(=O)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C19H27FN6O/c1-14(2)24(3)12-18-21-22-23-26(18)13-19(27)25-11-5-4-6-17(25)15-7-9-16(20)10-8-15/h7-10,14,17H,4-6,11-13H2,1-3H3
InChIKeyOYEKMHIUVWTAKA-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.41
Rot. Bonds6

About 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone

1-[2-(4-fluorophenyl)piperidin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone (PubChem CID 45235837) has the molecular formula C19H27FN6O and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)piperidin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone
PubChem CID45235837
Molecular FormulaC19H27FN6O
Molecular Weight374.46 g/mol
Exact Mass374.22
IUPAC Name1-[2-(4-fluorophenyl)piperidin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone
SMILESCC(C)N(C)Cc1nnnn1CC(=O)N1CCCCC1c1ccc(F)cc1
InChIInChI=1S/C19H27FN6O/c1-14(2)24(3)12-18-21-22-23-26(18)13-19(27)25-11-5-4-6-17(25)15-7-9-16(20)10-8-15/h7-10,14,17H,4-6,11-13H2,1-3H3
InChIKeyOYEKMHIUVWTAKA-UHFFFAOYSA-N
XLogP2.41
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone (CID 45235837) is 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone is CC(C)N(C)Cc1nnnn1CC(=O)N1CCCCC1c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone?
The InChIKey is OYEKMHIUVWTAKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN6O/c1-14(2)24(3)12-18-21-22-23-26(18)13-19(27)25-11-5-4-6-17(25)15-7-9-16(20)10-8-15/h7-10,14,17H,4-6,11-13H2,1-3H3.
What are the key properties of 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone?
1-[2-(4-fluorophenyl)piperidin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone has a molecular weight of 374.46 g/mol, XLogP of 2.41, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)piperidin-1-yl]-2-[5-[[methyl(propan-2-yl)amino]methyl]tetrazol-1-yl]ethanone is sourced from PubChem (CID 45235837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).