6-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one

C20H24N4O2 — CID 110115141

IUPAC6-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
SMILESO=C(CCN1CCc2ccccc21)N1CCCC(c2ccnc(=O)[nH]2)C1
InChIInChI=1S/C20H24N4O2/c25-19(9-13-23-12-8-15-4-1-2-6-18(15)23)24-11-3-5-16(14-24)17-7-10-21-20(26)22-17/h1-2,4,6-7,10,16H,3,5,8-9,11-14H2,(H,21,22,26)
InChIKeyJKPYSMPCOOQPDA-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.93
Rot. Bonds4

About 6-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one

6-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one (PubChem CID 110115141) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 6-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
PubChem CID110115141
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name6-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
SMILESO=C(CCN1CCc2ccccc21)N1CCCC(c2ccnc(=O)[nH]2)C1
InChIInChI=1S/C20H24N4O2/c25-19(9-13-23-12-8-15-4-1-2-6-18(15)23)24-11-3-5-16(14-24)17-7-10-21-20(26)22-17/h1-2,4,6-7,10,16H,3,5,8-9,11-14H2,(H,21,22,26)
InChIKeyJKPYSMPCOOQPDA-UHFFFAOYSA-N
XLogP1.93
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-[3-(benzimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115127
3-(2,3-dihydroindol-1-yl)-1-[(3R)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]propan-1-one
CID 124968339
6-[(3R)-1-[3-(2-ethylimidazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 124944016
1-(2,3-dihydroindol-1-yl)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95760420
6-[1-[2-(4-fluorophenoxy)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115179
6-[(3R)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 125009841
3-(2,3-dihydroindol-1-yl)-1-[2-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 110106186
6-[1-[2-(3-fluorophenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-2-one
CID 110115116
6-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 125019436
3-(2,3-dihydroindol-1-yl)-1-[4-[5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 92621815
6-[(3R)-1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124996465
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718

Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one (CID 110115141) is 6-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one is O=C(CCN1CCc2ccccc21)N1CCCC(c2ccnc(=O)[nH]2)C1.
What is the InChIKey of 6-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one?
The InChIKey is JKPYSMPCOOQPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-19(9-13-23-12-8-15-4-1-2-6-18(15)23)24-11-3-5-16(14-24)17-7-10-21-20(26)22-17/h1-2,4,6-7,10,16H,3,5,8-9,11-14H2,(H,21,22,26).
What are the key properties of 6-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one?
6-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one has a molecular weight of 352.44 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(2,3-dihydroindol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 110115141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).