5-oxo-1-(1-pyrimidin-4-ylpiperidin-4-yl)pyrrolidine-3-carboxamide

C14H19N5O2 — CID 126899644

IUPAC5-oxo-1-(1-pyrimidin-4-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(C2CCN(c3ccncn3)CC2)C1
InChIInChI=1S/C14H19N5O2/c15-14(21)10-7-13(20)19(8-10)11-2-5-18(6-3-11)12-1-4-16-9-17-12/h1,4,9-11H,2-3,5-8H2,(H2,15,21)
InChIKeyMLDIYGJWBVENNS-UHFFFAOYSA-N
MW289.34 g/mol
LogP-0.22
Rot. Bonds3

About 5-oxo-1-(1-pyrimidin-4-ylpiperidin-4-yl)pyrrolidine-3-carboxamide

5-oxo-1-(1-pyrimidin-4-ylpiperidin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 126899644) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 5-oxo-1-(1-pyrimidin-4-ylpiperidin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(1-pyrimidin-4-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
PubChem CID126899644
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name5-oxo-1-(1-pyrimidin-4-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(C2CCN(c3ccncn3)CC2)C1
InChIInChI=1S/C14H19N5O2/c15-14(21)10-7-13(20)19(8-10)11-2-5-18(6-3-11)12-1-4-16-9-17-12/h1,4,9-11H,2-3,5-8H2,(H2,15,21)
InChIKeyMLDIYGJWBVENNS-UHFFFAOYSA-N
XLogP-0.22
TPSA92.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 126899571
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 29451208
(1-pyrimidin-4-ylpiperidin-4-yl) carbamate
CID 118050075
1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696194
1-[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 126899618
1-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696646
(1-pyrimidin-4-ylpyrrolidin-3-yl)carbamic acid
CID 66765635
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 168695572
1-[1-[(5-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-5-oxopyrrolidine-3-carboxamide
CID 126899610
1-cyclopropyl-4-[4-(pyridine-4-carbonyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346139
5-oxo-1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 126855916
5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxamide
CID 168698605

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1-pyrimidin-4-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(1-pyrimidin-4-ylpiperidin-4-yl)pyrrolidine-3-carboxamide (CID 126899644) is 5-oxo-1-(1-pyrimidin-4-ylpiperidin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(1-pyrimidin-4-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(1-pyrimidin-4-ylpiperidin-4-yl)pyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(C2CCN(c3ccncn3)CC2)C1.
What is the InChIKey of 5-oxo-1-(1-pyrimidin-4-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is MLDIYGJWBVENNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c15-14(21)10-7-13(20)19(8-10)11-2-5-18(6-3-11)12-1-4-16-9-17-12/h1,4,9-11H,2-3,5-8H2,(H2,15,21).
What are the key properties of 5-oxo-1-(1-pyrimidin-4-ylpiperidin-4-yl)pyrrolidine-3-carboxamide?
5-oxo-1-(1-pyrimidin-4-ylpiperidin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 289.34 g/mol, XLogP of -0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1-pyrimidin-4-ylpiperidin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 126899644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).