6-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one

C17H25N3O3 — CID 125009841

IUPAC6-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
SMILESO=C(CC1(O)CCCCC1)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1
InChIInChI=1S/C17H25N3O3/c21-15(11-17(23)7-2-1-3-8-17)20-10-4-5-13(12-20)14-6-9-18-16(22)19-14/h6,9,13,23H,1-5,7-8,10-12H2,(H,18,19,22)/t13-/m1/s1
InChIKeyVFECYGKJYFVDLV-CYBMUJFWSA-N
MW319.40 g/mol
LogP1.56
Rot. Bonds3

About 6-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one

6-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one (PubChem CID 125009841) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is 6-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
PubChem CID125009841
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name6-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
SMILESO=C(CC1(O)CCCCC1)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1
InChIInChI=1S/C17H25N3O3/c21-15(11-17(23)7-2-1-3-8-17)20-10-4-5-13(12-20)14-6-9-18-16(22)19-14/h6,9,13,23H,1-5,7-8,10-12H2,(H,18,19,22)/t13-/m1/s1
InChIKeyVFECYGKJYFVDLV-CYBMUJFWSA-N
XLogP1.56
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-hydroxycyclohexyl)-1-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 95845969
6-[1-[2-(4-fluorophenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115179
6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 124944016
6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115116
6-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115127
6-[(3R)-1-(2H-benzotriazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124963530
6-[1-(2-methylpyrimidine-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115079
6-[(3S)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-N-methylpyridine-3-carboxamide
CID 92621905
6-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115141
6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125019436
6-[1-(4-ethylthiadiazole-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115172
2-(1-hydroxycyclohexyl)-1-[3-(2-methylpyrimidin-4-yl)azetidin-1-yl]ethanone
CID 175655827

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one (CID 125009841) is 6-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one is O=C(CC1(O)CCCCC1)N1CCC[C@@H](c2ccnc(=O)[nH]2)C1.
What is the InChIKey of 6-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one?
The InChIKey is VFECYGKJYFVDLV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N3O3/c21-15(11-17(23)7-2-1-3-8-17)20-10-4-5-13(12-20)14-6-9-18-16(22)19-14/h6,9,13,23H,1-5,7-8,10-12H2,(H,18,19,22)/t13-/m1/s1.
What are the key properties of 6-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one?
6-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one has a molecular weight of 319.40 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 125009841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).