5-oxo-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-carboxamide

C14H25N3O2 — CID 106626364

IUPAC5-oxo-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N(CC1CCCCN1)C(=O)C1CNC(=O)C1
InChIInChI=1S/C14H25N3O2/c1-10(2)17(9-12-5-3-4-6-15-12)14(19)11-7-13(18)16-8-11/h10-12,15H,3-9H2,1-2H3,(H,16,18)
InChIKeyXYMBMIFNGJGDKO-UHFFFAOYSA-N
MW267.37 g/mol
LogP0.50
Rot. Bonds4

About 5-oxo-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-carboxamide

5-oxo-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-carboxamide (PubChem CID 106626364) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 5-oxo-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-carboxamide
PubChem CID106626364
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name5-oxo-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-carboxamide
SMILESCC(C)N(CC1CCCCN1)C(=O)C1CNC(=O)C1
InChIInChI=1S/C14H25N3O2/c1-10(2)17(9-12-5-3-4-6-15-12)14(19)11-7-13(18)16-8-11/h10-12,15H,3-9H2,1-2H3,(H,16,18)
InChIKeyXYMBMIFNGJGDKO-UHFFFAOYSA-N
XLogP0.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 78981416
N-butyl-5-oxo-N-(pyrrolidin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 106611873
5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-yloxolane-2-carboxamide
CID 106626417
1,1-dioxo-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)thiolane-3-carboxamide
CID 106609917
N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-ynamide
CID 107990956
3-methyl-1-(piperidin-2-ylmethyl)-1-propan-2-ylurea
CID 106629717
2-cyclopropyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626607
4-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylpentanamide
CID 106626702
N-(piperidin-2-ylmethyl)-N-propan-2-ylprop-2-enamide
CID 106626540
3,5-dimethyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626473
2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626462
2-cyclohexyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626347

Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-carboxamide (CID 106626364) is 5-oxo-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-carboxamide is CC(C)N(CC1CCCCN1)C(=O)C1CNC(=O)C1.
What is the InChIKey of 5-oxo-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
The InChIKey is XYMBMIFNGJGDKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(2)17(9-12-5-3-4-6-15-12)14(19)11-7-13(18)16-8-11/h10-12,15H,3-9H2,1-2H3,(H,16,18).
What are the key properties of 5-oxo-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-carboxamide?
5-oxo-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-(piperidin-2-ylmethyl)-N-propan-2-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106626364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).