4-(4-aminopiperidine-1-carbonyl)-1-propylpyrrolidin-2-one

C13H23N3O2 — CID 82042053

IUPAC4-(4-aminopiperidine-1-carbonyl)-1-propylpyrrolidin-2-one
SMILESCCCN1CC(C(=O)N2CCC(N)CC2)CC1=O
InChIInChI=1S/C13H23N3O2/c1-2-5-16-9-10(8-12(16)17)13(18)15-6-3-11(14)4-7-15/h10-11H,2-9,14H2,1H3
InChIKeyXPAGNRCZYCOLLO-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.19
Rot. Bonds3

About 4-(4-aminopiperidine-1-carbonyl)-1-propylpyrrolidin-2-one

4-(4-aminopiperidine-1-carbonyl)-1-propylpyrrolidin-2-one (PubChem CID 82042053) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 4-(4-aminopiperidine-1-carbonyl)-1-propylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(4-aminopiperidine-1-carbonyl)-1-propylpyrrolidin-2-one
PubChem CID82042053
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name4-(4-aminopiperidine-1-carbonyl)-1-propylpyrrolidin-2-one
SMILESCCCN1CC(C(=O)N2CCC(N)CC2)CC1=O
InChIInChI=1S/C13H23N3O2/c1-2-5-16-9-10(8-12(16)17)13(18)15-6-3-11(14)4-7-15/h10-11H,2-9,14H2,1H3
InChIKeyXPAGNRCZYCOLLO-UHFFFAOYSA-N
XLogP0.19
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-(5-oxo-1-propylpyrrolidine-3-carbonyl)piperazine-1-carboxamide
CID 110346275
(4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9398589
4-(4-benzoylpiperazine-1-carbonyl)-1-propylpyrrolidin-2-one
CID 110346238
4-(4-aminopiperidine-1-carbonyl)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-2-one
CID 119376087
(3S)-5-oxo-1-propylpyrrolidine-3-carboxylic acid
CID 7583712
ethyl 4-(5-oxo-1-pentylpyrrolidine-3-carbonyl)piperazine-1-carboxylate
CID 113185693
1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 82042052
4-(4-aminopiperidine-1-carbonyl)-1-(4-methylcyclohexyl)pyrrolidin-2-one;hydrochloride
CID 119373158
1-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 108800270
(4S)-1-butyl-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 27186995
4-(3-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one
CID 113185711
4-[4-(benzenesulfonyl)piperazine-1-carbonyl]-1-propylpyrrolidin-2-one
CID 110346283

Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidine-1-carbonyl)-1-propylpyrrolidin-2-one?
The IUPAC name of 4-(4-aminopiperidine-1-carbonyl)-1-propylpyrrolidin-2-one (CID 82042053) is 4-(4-aminopiperidine-1-carbonyl)-1-propylpyrrolidin-2-one.
What is the SMILES notation for 4-(4-aminopiperidine-1-carbonyl)-1-propylpyrrolidin-2-one?
The canonical SMILES for 4-(4-aminopiperidine-1-carbonyl)-1-propylpyrrolidin-2-one is CCCN1CC(C(=O)N2CCC(N)CC2)CC1=O.
What is the InChIKey of 4-(4-aminopiperidine-1-carbonyl)-1-propylpyrrolidin-2-one?
The InChIKey is XPAGNRCZYCOLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-2-5-16-9-10(8-12(16)17)13(18)15-6-3-11(14)4-7-15/h10-11H,2-9,14H2,1H3.
What are the key properties of 4-(4-aminopiperidine-1-carbonyl)-1-propylpyrrolidin-2-one?
4-(4-aminopiperidine-1-carbonyl)-1-propylpyrrolidin-2-one has a molecular weight of 253.35 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopiperidine-1-carbonyl)-1-propylpyrrolidin-2-one is sourced from PubChem (CID 82042053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).