1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone

C18H23ClN6O2 — CID 24791830

IUPAC1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
SMILESO=C(Cn1nnnc1CN1CCOCC1)N1CCC(c2cccc(Cl)c2)C1
InChIInChI=1S/C18H23ClN6O2/c19-16-3-1-2-14(10-16)15-4-5-24(11-15)18(26)13-25-17(20-21-22-25)12-23-6-8-27-9-7-23/h1-3,10,15H,4-9,11-13H2
InChIKeyRVXWRJPTARNZBM-UHFFFAOYSA-N
MW390.88 g/mol
LogP1.17
Rot. Bonds5

About 1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone

1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone (PubChem CID 24791830) has the molecular formula C18H23ClN6O2 and a molecular weight of 390.88 g/mol. Its IUPAC name is 1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
PubChem CID24791830
Molecular FormulaC18H23ClN6O2
Molecular Weight390.88 g/mol
Exact Mass390.16
IUPAC Name1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
SMILESO=C(Cn1nnnc1CN1CCOCC1)N1CCC(c2cccc(Cl)c2)C1
InChIInChI=1S/C18H23ClN6O2/c19-16-3-1-2-14(10-16)15-4-5-24(11-15)18(26)13-25-17(20-21-22-25)12-23-6-8-27-9-7-23/h1-3,10,15H,4-9,11-13H2
InChIKeyRVXWRJPTARNZBM-UHFFFAOYSA-N
XLogP1.17
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.88
LogP ≤ 51.17
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-(2-Fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
CID 24794257
1-[3-(3-Chlorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
CID 24819390
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
N-(3-chlorobenzyl)-2-(5-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]methyl}-1H-tetrazol-1-yl)acetamide
CID 29256044
1-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 26392415
1-[(3R)-3-(4-fluorophenyl)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 26392417
1-[(3S)-3-(2-fluorophenyl)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 28309646
1-[(3R)-3-(2-fluorophenyl)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
CID 28309647
4-[(1-{2-[3-(2-fluorophenyl)-1-pyrrolidinyl]-2-oxoethyl}-1H-tetrazol-5-yl)methyl]morpholine
CID 45173036

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
The IUPAC name of 1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone (CID 24791830) is 1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone.
What is the SMILES notation for 1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
The canonical SMILES for 1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone is O=C(Cn1nnnc1CN1CCOCC1)N1CCC(c2cccc(Cl)c2)C1.
What is the InChIKey of 1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
The InChIKey is RVXWRJPTARNZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O2/c19-16-3-1-2-14(10-16)15-4-5-24(11-15)18(26)13-25-17(20-21-22-25)12-23-6-8-27-9-7-23/h1-3,10,15H,4-9,11-13H2.
What are the key properties of 1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone?
1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone has a molecular weight of 390.88 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-chlorophenyl)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone is sourced from PubChem (CID 24791830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).