5-(1-benzyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one

C20H28N6O2 — CID 53300800

IUPAC5-(1-benzyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
SMILESCC1(c2nnnn2Cc2ccccc2)CCC(=O)N1CCCN1CCOCC1
InChIInChI=1S/C20H28N6O2/c1-20(19-21-22-23-26(19)16-17-6-3-2-4-7-17)9-8-18(27)25(20)11-5-10-24-12-14-28-15-13-24/h2-4,6-7H,5,8-16H2,1H3
InChIKeyNKMNFYKVKHDBJC-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.28
Rot. Bonds7

About 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one

5-(1-benzyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one (PubChem CID 53300800) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(1-benzyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
PubChem CID53300800
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name5-(1-benzyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
SMILESCC1(c2nnnn2Cc2ccccc2)CCC(=O)N1CCCN1CCOCC1
InChIInChI=1S/C20H28N6O2/c1-20(19-21-22-23-26(19)16-17-6-3-2-4-7-17)9-8-18(27)25(20)11-5-10-24-12-14-28-15-13-24/h2-4,6-7H,5,8-16H2,1H3
InChIKeyNKMNFYKVKHDBJC-UHFFFAOYSA-N
XLogP1.28
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-Benzyl-4-{1-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-propyl}-piperazine
CID 6602589
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
5-(1-Benzyltetrazol-5-yl)-1-cyclopropyl-5-methylpyrrolidin-2-one
CID 53300801
5-(1-Butyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one
CID 53300802
3-(1-Tert-butyl-1H-1,2,3,4-tetrazol-5-YL)-2-[(2-fluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-1-one
CID 91909014
1-Benzyl-4-{1-[1-(2-methoxy-ethyl)-1H-tetrazol-5-yl]-butyl}-piperazine
CID 9549375
1-[3-(2-Fluorophenyl)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
CID 24794257
5-(1-Benzyltetrazol-5-yl)-1-[2-(2-fluorophenyl)ethyl]-5-methylpyrrolidin-2-one
CID 53300792
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-(trifluoromethyl)phenyl]methyl]pyrrolidin-2-one
CID 53300753
5-(1-Benzyltetrazol-5-yl)-1-[(4-fluorophenyl)methyl]-5-methylpyrrolidin-2-one
CID 53300755

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one?
The IUPAC name of 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one (CID 53300800) is 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one?
The canonical SMILES for 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one is CC1(c2nnnn2Cc2ccccc2)CCC(=O)N1CCCN1CCOCC1.
What is the InChIKey of 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one?
The InChIKey is NKMNFYKVKHDBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-20(19-21-22-23-26(19)16-17-6-3-2-4-7-17)9-8-18(27)25(20)11-5-10-24-12-14-28-15-13-24/h2-4,6-7H,5,8-16H2,1H3.
What are the key properties of 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one?
5-(1-benzyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one has a molecular weight of 384.48 g/mol, XLogP of 1.28, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 53300800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).