5-oxo-N-(2-piperidin-1-ium-1-ylethyl)-1-propan-2-ylpyrrolidine-2-carboxamide

C15H28N3O2+ — CID 3429047

IUPAC5-oxo-N-(2-piperidin-1-ium-1-ylethyl)-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1C(=O)CCC1C(=O)NCC[NH+]1CCCCC1
InChIInChI=1S/C15H27N3O2/c1-12(2)18-13(6-7-14(18)19)15(20)16-8-11-17-9-4-3-5-10-17/h12-13H,3-11H2,1-2H3,(H,16,20)/p+1
InChIKeyVXOLFAJDTLGJMW-UHFFFAOYSA-O
MW282.41 g/mol
LogP-0.43
Rot. Bonds5

About 5-oxo-N-(2-piperidin-1-ium-1-ylethyl)-1-propan-2-ylpyrrolidine-2-carboxamide

5-oxo-N-(2-piperidin-1-ium-1-ylethyl)-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 3429047) has the molecular formula C15H28N3O2+ and a molecular weight of 282.41 g/mol. Its IUPAC name is 5-oxo-N-(2-piperidin-1-ium-1-ylethyl)-1-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(2-piperidin-1-ium-1-ylethyl)-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID3429047
Molecular FormulaC15H28N3O2+
Molecular Weight282.41 g/mol
Exact Mass282.22
IUPAC Name5-oxo-N-(2-piperidin-1-ium-1-ylethyl)-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESCC(C)N1C(=O)CCC1C(=O)NCC[NH+]1CCCCC1
InChIInChI=1S/C15H27N3O2/c1-12(2)18-13(6-7-14(18)19)15(20)16-8-11-17-9-4-3-5-10-17/h12-13H,3-11H2,1-2H3,(H,16,20)/p+1
InChIKeyVXOLFAJDTLGJMW-UHFFFAOYSA-O
XLogP-0.43
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-oxo-1-propan-2-yl-N-(3-propan-2-yloxypropyl)pyrrolidine-2-carboxamide
CID 3243254
5-oxo-1-propan-2-yl-N-prop-2-enylpyrrolidine-2-carboxamide
CID 15991840
methyl (2R)-5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate
CID 124604356
N-[(2-chloro-4-fluorophenyl)methyl]-5-oxo-1-propan-2-ylpyrrolidine-2-carboxamide
CID 20968164
N-[3-(dimethylamino)propyl]-1-methyl-5-oxopyrrolidine-2-carboxamide
CID 110687240
(2R,4R)-2-(2-chlorophenyl)-3-(2-methylpropanoyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)-1,3-thiazolidine-4-carboxamide
CID 7414492
3-methyl-N-[3-methyl-2-[[(2S)-5-oxo-1-propan-2-ylpyrrolidine-2-carbonyl]amino]butyl]-2-oxoazepane-3-carboxamide
CID 166340011
2,2-diphenyl-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide chloride
CID 44662856
5-methyl-N-[3-oxo-3-(2-piperidin-1-ium-1-ylethylamino)propyl]-N-(2-piperidin-1-ium-1-ylethyl)pyrazine-2-carboxamide
CID 7263419
1-methylsulfonyl-5-oxo-N-propylpyrrolidine-2-carboxamide
CID 110387753
1-cyclohexyl-N-(3-ethoxypropyl)-5-oxopyrrolidine-2-carboxamide
CID 5151180
1-benzyl-5-oxo-N-(3-phenylbutyl)pyrrolidine-2-carboxamide
CID 110410559

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(2-piperidin-1-ium-1-ylethyl)-1-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-(2-piperidin-1-ium-1-ylethyl)-1-propan-2-ylpyrrolidine-2-carboxamide (CID 3429047) is 5-oxo-N-(2-piperidin-1-ium-1-ylethyl)-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-(2-piperidin-1-ium-1-ylethyl)-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-(2-piperidin-1-ium-1-ylethyl)-1-propan-2-ylpyrrolidine-2-carboxamide is CC(C)N1C(=O)CCC1C(=O)NCC[NH+]1CCCCC1.
What is the InChIKey of 5-oxo-N-(2-piperidin-1-ium-1-ylethyl)-1-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is VXOLFAJDTLGJMW-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H27N3O2/c1-12(2)18-13(6-7-14(18)19)15(20)16-8-11-17-9-4-3-5-10-17/h12-13H,3-11H2,1-2H3,(H,16,20)/p+1.
What are the key properties of 5-oxo-N-(2-piperidin-1-ium-1-ylethyl)-1-propan-2-ylpyrrolidine-2-carboxamide?
5-oxo-N-(2-piperidin-1-ium-1-ylethyl)-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 282.41 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(2-piperidin-1-ium-1-ylethyl)-1-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 3429047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).