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

C19H25FN6O2 — CID 45210584

IUPAC1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
SMILESO=C(CCn1nnnc1CN1CCOCC1)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C19H25FN6O2/c20-16-5-3-15(4-6-16)17-2-1-8-25(17)19(27)7-9-26-18(21-22-23-26)14-24-10-12-28-13-11-24/h3-6,17H,1-2,7-14H2
InChIKeyHCVAOVIAJOWMKJ-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.40
Rot. Bonds6

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

1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one (PubChem CID 45210584) has the molecular formula C19H25FN6O2 and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
PubChem CID45210584
Molecular FormulaC19H25FN6O2
Molecular Weight388.45 g/mol
Exact Mass388.20
IUPAC Name1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
SMILESO=C(CCn1nnnc1CN1CCOCC1)N1CCCC1c1ccc(F)cc1
InChIInChI=1S/C19H25FN6O2/c20-16-5-3-15(4-6-16)17-2-1-8-25(17)19(27)7-9-26-18(21-22-23-26)14-24-10-12-28-13-11-24/h3-6,17H,1-2,7-14H2
InChIKeyHCVAOVIAJOWMKJ-UHFFFAOYSA-N
XLogP1.40
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one?
The IUPAC name of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one (CID 45210584) is 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one?
The canonical SMILES for 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one is O=C(CCn1nnnc1CN1CCOCC1)N1CCCC1c1ccc(F)cc1.
What is the InChIKey of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one?
The InChIKey is HCVAOVIAJOWMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6O2/c20-16-5-3-15(4-6-16)17-2-1-8-25(17)19(27)7-9-26-18(21-22-23-26)14-24-10-12-28-13-11-24/h3-6,17H,1-2,7-14H2.
What are the key properties of 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one?
1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one has a molecular weight of 388.45 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one is sourced from PubChem (CID 45210584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).