1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide

C17H25N5O2 — CID 75479953

IUPAC1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ncccn1)C1CCN(CCCN2CCCC2=O)CC1
InChIInChI=1S/C17H25N5O2/c23-15-4-1-10-22(15)11-3-9-21-12-5-14(6-13-21)16(24)20-17-18-7-2-8-19-17/h2,7-8,14H,1,3-6,9-13H2,(H,18,19,20,24)
InChIKeyKIQHLCSTJURCOR-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.14
Rot. Bonds6

About 1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide

1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 75479953) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID75479953
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESO=C(Nc1ncccn1)C1CCN(CCCN2CCCC2=O)CC1
InChIInChI=1S/C17H25N5O2/c23-15-4-1-10-22(15)11-3-9-21-12-5-14(6-13-21)16(24)20-17-18-7-2-8-19-17/h2,7-8,14H,1,3-6,9-13H2,(H,18,19,20,24)
InChIKeyKIQHLCSTJURCOR-UHFFFAOYSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-phenylpropyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479408
1-(2-phenylethyl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479402
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-2-one
CID 10358464
1-acetyl-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 29367836
N-[3-(2-oxopyrrolidin-1-yl)propyl]cyclopentanecarboxamide
CID 17217958
1-[(2R)-2-phenylpropyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 95629246
(3S)-N-(1H-imidazol-2-ylmethyl)-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 97126009
1-benzyl-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]piperidine-4-carboxamide
CID 46765739
N-cyclooctyl-6-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 45200305
1-[(3-fluorophenyl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479400
1-[3-[[2-(pyrimidin-2-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117091420
1-(4-ethyl-3-oxoquinoxalin-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide
CID 53062491

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of 1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide (CID 75479953) is 1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for 1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide is O=C(Nc1ncccn1)C1CCN(CCCN2CCCC2=O)CC1.
What is the InChIKey of 1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is KIQHLCSTJURCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c23-15-4-1-10-22(15)11-3-9-21-12-5-14(6-13-21)16(24)20-17-18-7-2-8-19-17/h2,7-8,14H,1,3-6,9-13H2,(H,18,19,20,24).
What are the key properties of 1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide?
1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-oxopyrrolidin-1-yl)propyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 75479953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).