5-oxo-1-pentan-3-yl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride

C14H26ClN3O2 — CID 119450895

IUPAC5-oxo-1-pentan-3-yl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCC(CC)N1CC(C(=O)NC2CCNC2)CC1=O.Cl
InChIInChI=1S/C14H25N3O2.ClH/c1-3-12(4-2)17-9-10(7-13(17)18)14(19)16-11-5-6-15-8-11;/h10-12,15H,3-9H2,1-2H3,(H,16,19);1H
InChIKeyRXNXSRLCQSUQBD-UHFFFAOYSA-N
MW303.83 g/mol
LogP0.92
Rot. Bonds5

About 5-oxo-1-pentan-3-yl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride

5-oxo-1-pentan-3-yl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 119450895) has the molecular formula C14H26ClN3O2 and a molecular weight of 303.83 g/mol. Its IUPAC name is 5-oxo-1-pentan-3-yl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-oxo-1-pentan-3-yl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID119450895
Molecular FormulaC14H26ClN3O2
Molecular Weight303.83 g/mol
Exact Mass303.17
IUPAC Name5-oxo-1-pentan-3-yl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCC(CC)N1CC(C(=O)NC2CCNC2)CC1=O.Cl
InChIInChI=1S/C14H25N3O2.ClH/c1-3-12(4-2)17-9-10(7-13(17)18)14(19)16-11-5-6-15-8-11;/h10-12,15H,3-9H2,1-2H3,(H,16,19);1H
InChIKeyRXNXSRLCQSUQBD-UHFFFAOYSA-N
XLogP0.92
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.83
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-pentan-2-yl-N-piperidin-3-ylpyrrolidine-3-carboxamide
CID 119427312
5-oxo-1-pentan-3-yl-N-(2-piperidin-3-ylethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119556333
2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 119349166
5-oxo-N-(6-oxopiperidin-3-yl)-1-propan-2-ylpyrrolidine-3-carboxamide
CID 62896987
1-[2-(dimethylamino)ethyl]-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119451954
(2S)-2-[(5-oxo-1-pentan-3-ylpyrrolidine-3-carbonyl)amino]-2-phenylacetic acid
CID 119372748
N-[2-(ethylamino)ethyl]-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 119506044
5-oxo-N-pyrrolidin-3-yl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119450293
1-naphthalen-1-yl-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119450160
N-(1-amino-2-methylpropan-2-yl)-5-oxo-1-pentan-3-ylpyrrolidine-3-carboxamide
CID 119522458
1-(2-butan-2-ylphenyl)-5-oxo-N-piperidin-4-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119387824
1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119426905

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-pentan-3-yl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of 5-oxo-1-pentan-3-yl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride (CID 119450895) is 5-oxo-1-pentan-3-yl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 5-oxo-1-pentan-3-yl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for 5-oxo-1-pentan-3-yl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride is CCC(CC)N1CC(C(=O)NC2CCNC2)CC1=O.Cl.
What is the InChIKey of 5-oxo-1-pentan-3-yl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is RXNXSRLCQSUQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2.ClH/c1-3-12(4-2)17-9-10(7-13(17)18)14(19)16-11-5-6-15-8-11;/h10-12,15H,3-9H2,1-2H3,(H,16,19);1H.
What are the key properties of 5-oxo-1-pentan-3-yl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride?
5-oxo-1-pentan-3-yl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 303.83 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-pentan-3-yl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119450895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).