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

C19H25FN6O2 — CID 24794257

IUPAC1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
SMILESO=C(CCn1nnnc1CN1CCOCC1)N1CCC(c2ccccc2F)C1
InChIInChI=1S/C19H25FN6O2/c20-17-4-2-1-3-16(17)15-5-7-25(13-15)19(27)6-8-26-18(21-22-23-26)14-24-9-11-28-12-10-24/h1-4,15H,5-14H2
InChIKeyLFHMFYGTFQWAKJ-UHFFFAOYSA-N
MW388.45 g/mol
LogP1.05
Rot. Bonds6

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

1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one (PubChem CID 24794257) has the molecular formula C19H25FN6O2 and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
PubChem CID24794257
Molecular FormulaC19H25FN6O2
Molecular Weight388.45 g/mol
Exact Mass388.20
IUPAC Name1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
SMILESO=C(CCn1nnnc1CN1CCOCC1)N1CCC(c2ccccc2F)C1
InChIInChI=1S/C19H25FN6O2/c20-17-4-2-1-3-16(17)15-5-7-25(13-15)19(27)6-8-26-18(21-22-23-26)14-24-9-11-28-12-10-24/h1-4,15H,5-14H2
InChIKeyLFHMFYGTFQWAKJ-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(1-{4-[3-(4-fluorophenyl)-1-pyrrolidinyl]-4-oxobutyl}-1H-tetrazol-5-yl)methyl]morpholine
CID 24819272
4-[(1-{4-[3-(2-fluorophenyl)-1-pyrrolidinyl]-4-oxobutyl}-1H-tetrazol-5-yl)methyl]morpholine
CID 24790697
1-[3-(3-Chlorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
CID 24819390
4-Benzyl-1-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperidine
CID 644368
1-[3-(3-Chlorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
CID 24791830
1-[3-(2-Chlorophenyl)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 24817153
1-[3-(2-Chlorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
CID 24817233
4-[(1-{2-[2-(4-fluorophenyl)-1-pyrrolidinyl]-2-oxoethyl}-1H-tetrazol-5-yl)methyl]morpholine
CID 45198900
5-(1-Benzyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
CID 53300800
1-[(3R)-3-(2-methylphenyl)piperidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
CID 25395366
2-(5-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]methyl}-1H-tetrazol-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 25446130
N-(3,4-difluorobenzyl)-4-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]butanamide
CID 28356556

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one?
The IUPAC name of 1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one (CID 24794257) is 1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one is O=C(CCn1nnnc1CN1CCOCC1)N1CCC(c2ccccc2F)C1.
What is the InChIKey of 1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one?
The InChIKey is LFHMFYGTFQWAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN6O2/c20-17-4-2-1-3-16(17)15-5-7-25(13-15)19(27)6-8-26-18(21-22-23-26)14-24-9-11-28-12-10-24/h1-4,15H,5-14H2.
What are the key properties of 1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one?
1-[3-(2-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 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one is sourced from PubChem (CID 24794257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).