1-[3-(diethylamino)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one

C18H33N7O2 — CID 45216481

IUPAC1-[3-(diethylamino)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
SMILESCCN(CC)C1CCN(C(=O)CCCn2nnnc2CN2CCOCC2)C1
InChIInChI=1S/C18H33N7O2/c1-3-23(4-2)16-7-9-24(14-16)18(26)6-5-8-25-17(19-20-21-25)15-22-10-12-27-13-11-22/h16H,3-15H2,1-2H3
InChIKeyMQRNGIQBRZBOHH-UHFFFAOYSA-N
MW379.51 g/mol
LogP0.23
Rot. Bonds9

About 1-[3-(diethylamino)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one

1-[3-(diethylamino)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one (PubChem CID 45216481) has the molecular formula C18H33N7O2 and a molecular weight of 379.51 g/mol. Its IUPAC name is 1-[3-(diethylamino)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[3-(diethylamino)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
PubChem CID45216481
Molecular FormulaC18H33N7O2
Molecular Weight379.51 g/mol
Exact Mass379.27
IUPAC Name1-[3-(diethylamino)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one
SMILESCCN(CC)C1CCN(C(=O)CCCn2nnnc2CN2CCOCC2)C1
InChIInChI=1S/C18H33N7O2/c1-3-23(4-2)16-7-9-24(14-16)18(26)6-5-8-25-17(19-20-21-25)15-22-10-12-27-13-11-22/h16H,3-15H2,1-2H3
InChIKeyMQRNGIQBRZBOHH-UHFFFAOYSA-N
XLogP0.23
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-4-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]-N-(oxolan-3-yl)butanamide
CID 24793941
5-(1-Butyltetrazol-5-yl)-5-methyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
CID 53300810
N,N-diethyl-1-{3-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]propanoyl}-3-pyrrolidinamine
CID 24791608
(3S*)-1-isobutyl-3-methyl-4-{4-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]butanoyl}-2-piperazinone
CID 28134259
(3S*)-1-ethyl-3-methyl-4-{4-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]butanoyl}-2-piperazinone
CID 28390709
2-(5-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]methyl}-1H-tetrazol-1-yl)-N-methyl-N-[3-(1-pyrrolidinyl)propyl]acetamide
CID 28767216
N-isopropyl-N-(2-methoxyethyl)-2-[5-(1-pyrrolidinylmethyl)-1H-tetrazol-1-yl]acetamide
CID 42527483
Sdccgsbi-0117090.P001
CID 45215928
ethyl (4-{[5-(1-pyrrolidinylmethyl)-1H-tetrazol-1-yl]acetyl}-3-morpholinyl)acetate
CID 45216690
1-[3-(Diethylamino)pyrrolidin-1-yl]-2-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]ethanone
CID 132458002
4-(5-Methyltetrazol-1-yl)-1-morpholin-4-ylbutan-1-one
CID 13103357
N-methyl-N-[[(2R)-1-methylpiperidin-2-yl]methyl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propanamide
CID 25375723

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one?
The IUPAC name of 1-[3-(diethylamino)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one (CID 45216481) is 1-[3-(diethylamino)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one.
What is the SMILES notation for 1-[3-(diethylamino)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one?
The canonical SMILES for 1-[3-(diethylamino)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one is CCN(CC)C1CCN(C(=O)CCCn2nnnc2CN2CCOCC2)C1.
What is the InChIKey of 1-[3-(diethylamino)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one?
The InChIKey is MQRNGIQBRZBOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N7O2/c1-3-23(4-2)16-7-9-24(14-16)18(26)6-5-8-25-17(19-20-21-25)15-22-10-12-27-13-11-22/h16H,3-15H2,1-2H3.
What are the key properties of 1-[3-(diethylamino)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one?
1-[3-(diethylamino)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one has a molecular weight of 379.51 g/mol, XLogP of 0.23, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)pyrrolidin-1-yl]-4-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]butan-1-one is sourced from PubChem (CID 45216481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).