6-[(3R)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one

C17H23N5O2 — CID 125005483

IUPAC6-[(3R)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
SMILESCC(C)(C)c1cc(C(=O)N2CCC[C@@H](c3ccnc(=O)[nH]3)C2)n[nH]1
InChIInChI=1S/C17H23N5O2/c1-17(2,3)14-9-13(20-21-14)15(23)22-8-4-5-11(10-22)12-6-7-18-16(24)19-12/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,20,21)(H,18,19,24)/t11-/m1/s1
InChIKeyTZRLECOYWYQZAF-LLVKDONJSA-N
MW329.40 g/mol
LogP1.81
Rot. Bonds2

About 6-[(3R)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one

6-[(3R)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one (PubChem CID 125005483) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 6-[(3R)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(3R)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
PubChem CID125005483
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name6-[(3R)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
SMILESCC(C)(C)c1cc(C(=O)N2CCC[C@@H](c3ccnc(=O)[nH]3)C2)n[nH]1
InChIInChI=1S/C17H23N5O2/c1-17(2,3)14-9-13(20-21-14)15(23)22-8-4-5-11(10-22)12-6-7-18-16(24)19-12/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,20,21)(H,18,19,24)/t11-/m1/s1
InChIKeyTZRLECOYWYQZAF-LLVKDONJSA-N
XLogP1.81
TPSA94.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(3R)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one with MolForge

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Related Compounds

(5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856017
6-[1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115079
(5-tert-butyl-1H-pyrazol-3-yl)-[(3R)-3-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124946318
[(3S)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-(4-fluorophenyl)methanone
CID 16671792
6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124963530
(5-tert-butyl-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
CID 110848778
6-[(3S)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124947702
6-[(3R)-1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124996465
6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125019436
(5-tert-butyl-1H-pyrazol-3-yl)-[(3S)-3-imidazol-1-ylpiperidin-1-yl]methanone
CID 95312993
6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115172
6-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124942458

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(3R)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one (CID 125005483) is 6-[(3R)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(3R)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(3R)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one is CC(C)(C)c1cc(C(=O)N2CCC[C@@H](c3ccnc(=O)[nH]3)C2)n[nH]1.
What is the InChIKey of 6-[(3R)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one?
The InChIKey is TZRLECOYWYQZAF-LLVKDONJSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-17(2,3)14-9-13(20-21-14)15(23)22-8-4-5-11(10-22)12-6-7-18-16(24)19-12/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,20,21)(H,18,19,24)/t11-/m1/s1.
What are the key properties of 6-[(3R)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one?
6-[(3R)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one has a molecular weight of 329.40 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-1-(5-tert-butyl-1H-pyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 125005483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).