1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one

C21H29FN6O2 — CID 29152815

IUPAC1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
SMILESO=C(CCn1nnnc1CN1CCOCC1)N1CCC(Cc2ccccc2F)CC1
InChIInChI=1S/C21H29FN6O2/c22-19-4-2-1-3-18(19)15-17-5-8-27(9-6-17)21(29)7-10-28-20(23-24-25-28)16-26-11-13-30-14-12-26/h1-4,17H,5-16H2
InChIKeyAKPCBRRCWIQYHB-UHFFFAOYSA-N
MW416.50 g/mol
LogP1.52
Rot. Bonds7

About 1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one

1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one (PubChem CID 29152815) has the molecular formula C21H29FN6O2 and a molecular weight of 416.50 g/mol. Its IUPAC name is 1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
PubChem CID29152815
Molecular FormulaC21H29FN6O2
Molecular Weight416.50 g/mol
Exact Mass416.23
IUPAC Name1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
SMILESO=C(CCn1nnnc1CN1CCOCC1)N1CCC(Cc2ccccc2F)CC1
InChIInChI=1S/C21H29FN6O2/c22-19-4-2-1-3-18(19)15-17-5-8-27(9-6-17)21(29)7-10-28-20(23-24-25-28)16-26-11-13-30-14-12-26/h1-4,17H,5-16H2
InChIKeyAKPCBRRCWIQYHB-UHFFFAOYSA-N
XLogP1.52
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one?
The IUPAC name of 1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one (CID 29152815) is 1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one is O=C(CCn1nnnc1CN1CCOCC1)N1CCC(Cc2ccccc2F)CC1.
What is the InChIKey of 1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one?
The InChIKey is AKPCBRRCWIQYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN6O2/c22-19-4-2-1-3-18(19)15-17-5-8-27(9-6-17)21(29)7-10-28-20(23-24-25-28)16-26-11-13-30-14-12-26/h1-4,17H,5-16H2.
What are the key properties of 1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one?
1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one has a molecular weight of 416.50 g/mol, XLogP of 1.52, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one is sourced from PubChem (CID 29152815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).