5-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-oxo-N,N-dipropylpentanamide

C17H33N3O2 — CID 119542393

IUPAC5-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-oxo-N,N-dipropylpentanamide
SMILESCCCN(CCC)C(=O)CCCC(=O)N1CCC(CNC)C1
InChIInChI=1S/C17H33N3O2/c1-4-10-19(11-5-2)16(21)7-6-8-17(22)20-12-9-15(14-20)13-18-3/h15,18H,4-14H2,1-3H3
InChIKeyWMPKFPCVVKUGRS-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.87
Rot. Bonds10

About 5-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-oxo-N,N-dipropylpentanamide

5-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-oxo-N,N-dipropylpentanamide (PubChem CID 119542393) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 5-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-oxo-N,N-dipropylpentanamide.

Molecular Properties

Compound Name5-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-oxo-N,N-dipropylpentanamide
PubChem CID119542393
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name5-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-oxo-N,N-dipropylpentanamide
SMILESCCCN(CCC)C(=O)CCCC(=O)N1CCC(CNC)C1
InChIInChI=1S/C17H33N3O2/c1-4-10-19(11-5-2)16(21)7-6-8-17(22)20-12-9-15(14-20)13-18-3/h15,18H,4-14H2,1-3H3
InChIKeyWMPKFPCVVKUGRS-UHFFFAOYSA-N
XLogP1.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(aminomethyl)pyrrolidin-1-yl]-4-oxo-N,N-dipropylbutanamide
CID 119483572
1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one;hydrochloride
CID 119396461
5-[3-(aminomethyl)pyrrolidin-1-yl]-N,N-diethyl-5-oxopentanamide;hydrochloride
CID 119484079
4-(methylamino)-1-[3-[[methyl(propyl)amino]methyl]pyrrolidin-1-yl]butan-1-one
CID 119895901
N,N-diethyl-4-[4-(methylaminomethyl)piperidin-1-yl]-4-oxobutanamide;hydrochloride
CID 119546523
ethane;1-[3-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one;molecular hydrogen
CID 144853305
4-[3-(methylamino)piperidin-1-yl]-4-oxo-N,N-dipropylbutanamide
CID 119487968
5-[4-(methylaminomethyl)piperidin-1-yl]-5-oxo-N-propylpentanamide
CID 119546405
1-[3-(methylaminomethyl)piperidin-1-yl]-3-sulfanylpropan-1-one
CID 107024102
3-(methylaminomethyl)-N-propylpyrrolidine-1-carboxamide
CID 63264228
1-[5-(dipropylamino)-5-oxopentanoyl]-N-phenylpiperidine-3-carboxamide
CID 56538808
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[5-(dipropylamino)-5-oxopentanoyl]piperidine-4-carboxamide
CID 56552654

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-oxo-N,N-dipropylpentanamide?
The IUPAC name of 5-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-oxo-N,N-dipropylpentanamide (CID 119542393) is 5-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-oxo-N,N-dipropylpentanamide.
What is the SMILES notation for 5-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-oxo-N,N-dipropylpentanamide?
The canonical SMILES for 5-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-oxo-N,N-dipropylpentanamide is CCCN(CCC)C(=O)CCCC(=O)N1CCC(CNC)C1.
What is the InChIKey of 5-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-oxo-N,N-dipropylpentanamide?
The InChIKey is WMPKFPCVVKUGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-4-10-19(11-5-2)16(21)7-6-8-17(22)20-12-9-15(14-20)13-18-3/h15,18H,4-14H2,1-3H3.
What are the key properties of 5-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-oxo-N,N-dipropylpentanamide?
5-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-oxo-N,N-dipropylpentanamide has a molecular weight of 311.47 g/mol, XLogP of 1.87, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylaminomethyl)pyrrolidin-1-yl]-5-oxo-N,N-dipropylpentanamide is sourced from PubChem (CID 119542393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).