4-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide

C14H21N3O3 — CID 115619309

IUPAC4-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide
SMILESN#CC1(C(=O)NCCC(=O)N2CCCC2)CCOCC1
InChIInChI=1S/C14H21N3O3/c15-11-14(4-9-20-10-5-14)13(19)16-6-3-12(18)17-7-1-2-8-17/h1-10H2,(H,16,19)
InChIKeyPMBJCKPUZRGIFS-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.44
Rot. Bonds4

About 4-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide

4-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide (PubChem CID 115619309) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide
PubChem CID115619309
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name4-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide
SMILESN#CC1(C(=O)NCCC(=O)N2CCCC2)CCOCC1
InChIInChI=1S/C14H21N3O3/c15-11-14(4-9-20-10-5-14)13(19)16-6-3-12(18)17-7-1-2-8-17/h1-10H2,(H,16,19)
InChIKeyPMBJCKPUZRGIFS-UHFFFAOYSA-N
XLogP0.44
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyano-N-(2-oxo-2-pyrrolidin-1-ylethyl)cyclohexane-1-carboxamide
CID 112686446
4-cyano-N-[3-(diethylamino)-3-oxopropyl]oxane-4-carboxamide
CID 115619318
1-[(3-oxo-3-piperidin-1-ylpropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 112622922
4-cyano-N-piperidin-1-yloxane-4-carboxamide
CID 82843101
1-amino-N-(3-oxo-3-piperidin-1-ylpropyl)cyclohexane-1-carboxamide
CID 115733771
1-[(3-morpholin-4-yl-3-oxopropyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 113355806
4-cyano-N-[(1-methylcyclobutyl)methyl]oxane-4-carboxamide
CID 103737393
4-cyano-N-[2-(trifluoromethylsulfanyl)ethyl]oxane-4-carboxamide
CID 113233756
4-cyano-N-[(1-methylcyclopropyl)methyl]oxane-4-carboxamide
CID 103722107
1-cyano-N-(2-pyrrolidin-1-ylethyl)cyclobutane-1-carboxamide
CID 78994411
4-cyano-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]oxane-4-carboxamide
CID 79362624
4-cyano-N-(3-methyl-2-propan-2-ylbutyl)oxane-4-carboxamide
CID 102906074

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide?
The IUPAC name of 4-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide (CID 115619309) is 4-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide.
What is the SMILES notation for 4-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide?
The canonical SMILES for 4-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide is N#CC1(C(=O)NCCC(=O)N2CCCC2)CCOCC1.
What is the InChIKey of 4-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide?
The InChIKey is PMBJCKPUZRGIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c15-11-14(4-9-20-10-5-14)13(19)16-6-3-12(18)17-7-1-2-8-17/h1-10H2,(H,16,19).
What are the key properties of 4-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide?
4-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-(3-oxo-3-pyrrolidin-1-ylpropyl)oxane-4-carboxamide is sourced from PubChem (CID 115619309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).