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

C17H31N7O2 — CID 24791608

IUPAC1-[3-(diethylamino)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
SMILESCCN(CC)C1CCN(C(=O)CCn2nnnc2CN2CCOCC2)C1
InChIInChI=1S/C17H31N7O2/c1-3-22(4-2)15-5-7-23(13-15)17(25)6-8-24-16(18-19-20-24)14-21-9-11-26-12-10-21/h15H,3-14H2,1-2H3
InChIKeyKELBJOMWZBELGF-UHFFFAOYSA-N
MW365.48 g/mol
LogP-0.16
Rot. Bonds8

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

1-[3-(diethylamino)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one (PubChem CID 24791608) has the molecular formula C17H31N7O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[3-(diethylamino)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(diethylamino)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
PubChem CID24791608
Molecular FormulaC17H31N7O2
Molecular Weight365.48 g/mol
Exact Mass365.25
IUPAC Name1-[3-(diethylamino)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one
SMILESCCN(CC)C1CCN(C(=O)CCn2nnnc2CN2CCOCC2)C1
InChIInChI=1S/C17H31N7O2/c1-3-22(4-2)15-5-7-23(13-15)17(25)6-8-24-16(18-19-20-24)14-21-9-11-26-12-10-21/h15H,3-14H2,1-2H3
InChIKeyKELBJOMWZBELGF-UHFFFAOYSA-N
XLogP-0.16
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 5-0.16
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-[2-(diethylamino)ethyl]-N-ethyl-2-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]acetamide
CID 25395883
N-[(1-{2-[4-(2-methoxyethyl)-1-piperazinyl]-2-oxoethyl}-1H-tetrazol-5-yl)methyl]-N-methyl-2-propanamine
CID 26333201
1-cyclopentyl-4-{3-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]propanoyl}-2-piperazinone
CID 28311712
(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
(3S)-1,3-dimethyl-4-{[5-(1-pyrrolidinylmethyl)-1H-tetrazol-1-yl]acetyl}-2-piperazinone
CID 42193750
N-isopropyl-N-(2-methoxyethyl)-2-[5-(1-pyrrolidinylmethyl)-1H-tetrazol-1-yl]acetamide
CID 42527483
Sdccgsbi-0117090.P001
CID 45215928
N,N-diethyl-1-{4-[5-(4-morpholinylmethyl)-1H-tetrazol-1-yl]butanoyl}-3-pyrrolidinamine
CID 45216481
ethyl (4-{[5-(1-pyrrolidinylmethyl)-1H-tetrazol-1-yl]acetyl}-3-morpholinyl)acetate
CID 45216690

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one?
The IUPAC name of 1-[3-(diethylamino)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one (CID 24791608) is 1-[3-(diethylamino)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-(diethylamino)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one?
The canonical SMILES for 1-[3-(diethylamino)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one is CCN(CC)C1CCN(C(=O)CCn2nnnc2CN2CCOCC2)C1.
What is the InChIKey of 1-[3-(diethylamino)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one?
The InChIKey is KELBJOMWZBELGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N7O2/c1-3-22(4-2)15-5-7-23(13-15)17(25)6-8-24-16(18-19-20-24)14-21-9-11-26-12-10-21/h15H,3-14H2,1-2H3.
What are the key properties of 1-[3-(diethylamino)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one?
1-[3-(diethylamino)pyrrolidin-1-yl]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one has a molecular weight of 365.48 g/mol, XLogP of -0.16, 8 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]-3-[5-(morpholin-4-ylmethyl)tetrazol-1-yl]propan-1-one is sourced from PubChem (CID 24791608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).