(3R)-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide

C16H24N6O2 — CID 40693545

IUPAC(3R)-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(CC(=O)N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C16H24N6O2/c17-15(24)13-3-1-6-20(11-13)12-14(23)21-7-9-22(10-8-21)16-18-4-2-5-19-16/h2,4-5,13H,1,3,6-12H2,(H2,17,24)/t13-/m1/s1
InChIKeyXTLFKJAGEYZALE-CYBMUJFWSA-N
MW332.41 g/mol
LogP-0.68
Rot. Bonds4

About (3R)-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide

(3R)-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide (PubChem CID 40693545) has the molecular formula C16H24N6O2 and a molecular weight of 332.41 g/mol. Its IUPAC name is (3R)-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
PubChem CID40693545
Molecular FormulaC16H24N6O2
Molecular Weight332.41 g/mol
Exact Mass332.20
IUPAC Name(3R)-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(CC(=O)N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C16H24N6O2/c17-15(24)13-3-1-6-20(11-13)12-14(23)21-7-9-22(10-8-21)16-18-4-2-5-19-16/h2,4-5,13H,1,3,6-12H2,(H2,17,24)/t13-/m1/s1
InChIKeyXTLFKJAGEYZALE-CYBMUJFWSA-N
XLogP-0.68
TPSA95.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 110688001
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
2-(4-methylpiperazin-1-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108995384
2-morpholin-4-yl-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethanone
CID 91833632
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063
1-[(3S)-3-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)piperidin-1-yl]propan-1-one
CID 97203838
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclobutanecarboxamide
CID 112994704
[(3S)-1-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]pyrrolidin-3-yl]methanesulfonamide
CID 125179745
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43385889
(4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987866
(3R)-2-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 39983627
2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 60671657

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide (CID 40693545) is (3R)-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(CC(=O)N2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of (3R)-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is XTLFKJAGEYZALE-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N6O2/c17-15(24)13-3-1-6-20(11-13)12-14(23)21-7-9-22(10-8-21)16-18-4-2-5-19-16/h2,4-5,13H,1,3,6-12H2,(H2,17,24)/t13-/m1/s1.
What are the key properties of (3R)-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide?
(3R)-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 332.41 g/mol, XLogP of -0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 40693545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).