N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide

C12H21N3O2 — CID 113221674

IUPACN-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide
SMILESO=C(CCNC(=O)N1CCCC1)N1CCCC1
InChIInChI=1S/C12H21N3O2/c16-11(14-7-1-2-8-14)5-6-13-12(17)15-9-3-4-10-15/h1-10H2,(H,13,17)
InChIKeyINEVXDSYKKQVSX-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.80
Rot. Bonds3

About N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide

N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide (PubChem CID 113221674) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide
PubChem CID113221674
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide
SMILESO=C(CCNC(=O)N1CCCC1)N1CCCC1
InChIInChI=1S/C12H21N3O2/c16-11(14-7-1-2-8-14)5-6-13-12(17)15-9-3-4-10-15/h1-10H2,(H,13,17)
InChIKeyINEVXDSYKKQVSX-UHFFFAOYSA-N
XLogP0.80
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-1-carboxamide
CID 115583806
N-[3-(ethylamino)-3-oxopropyl]pyrrolidine-1-carboxamide
CID 116657786
N-(3-oxo-3-pyrrolidin-1-ylpropyl)prop-2-enamide
CID 61251523
2-amino-N-(3-oxo-3-piperidin-1-ylpropyl)acetamide
CID 83620523
3-[(3-oxo-3-piperidin-1-ylpropyl)carbamoylamino]propanoic acid
CID 113411593
4-(2-methylphenyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperazine-1-carboxamide
CID 18129548
2-chloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)propanamide
CID 61251378
N-(2-fluoroethyl)piperidine-1-carboxamide
CID 126973652
(1R,8S)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-4-azatricyclo[4.3.1.13,8]undecane-4-carboxamide
CID 95164708
4-butanoyl-N-propylpiperazine-1-carboxamide
CID 110810606
N-[3-oxo-3-(propan-2-ylamino)propyl]azepane-1-carboxamide
CID 115583768
1-amino-N-(3-oxo-3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 115733771

Frequently Asked Questions

What is the IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide (CID 113221674) is N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide is O=C(CCNC(=O)N1CCCC1)N1CCCC1.
What is the InChIKey of N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is INEVXDSYKKQVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c16-11(14-7-1-2-8-14)5-6-13-12(17)15-9-3-4-10-15/h1-10H2,(H,13,17).
What are the key properties of N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide?
N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 113221674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).