3-(2-ethoxypyrimidin-5-yl)-1-piperidin-1-ylpropan-1-one

C14H21N3O2 — CID 110487370

IUPAC3-(2-ethoxypyrimidin-5-yl)-1-piperidin-1-ylpropan-1-one
SMILESCCOc1ncc(CCC(=O)N2CCCCC2)cn1
InChIInChI=1S/C14H21N3O2/c1-2-19-14-15-10-12(11-16-14)6-7-13(18)17-8-4-3-5-9-17/h10-11H,2-9H2,1H3
InChIKeyRZAGTSFBKQJPEZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.82
Rot. Bonds5

About 3-(2-ethoxypyrimidin-5-yl)-1-piperidin-1-ylpropan-1-one

3-(2-ethoxypyrimidin-5-yl)-1-piperidin-1-ylpropan-1-one (PubChem CID 110487370) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(2-ethoxypyrimidin-5-yl)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2-ethoxypyrimidin-5-yl)-1-piperidin-1-ylpropan-1-one
PubChem CID110487370
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-(2-ethoxypyrimidin-5-yl)-1-piperidin-1-ylpropan-1-one
SMILESCCOc1ncc(CCC(=O)N2CCCCC2)cn1
InChIInChI=1S/C14H21N3O2/c1-2-19-14-15-10-12(11-16-14)6-7-13(18)17-8-4-3-5-9-17/h10-11H,2-9H2,1H3
InChIKeyRZAGTSFBKQJPEZ-UHFFFAOYSA-N
XLogP1.82
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Hydroxypropyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70707165
2-(2-Methoxyethyl)-9-(5-propylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
CID 70769782
N~3~-[(2-amino-5-pyrimidinyl)methyl]-N~1~,N~1~,N~3~-trimethyl-1,3-piperidinedicarboxamide
CID 72902403
6-imino-2,8-dimethyl-5H-pyrido[2,3-d]pyrimidin-7-one
CID 78225824
4,4,4-Trifluoro-1-(4-pyrimidin-5-yl-1-piperidyl)butan-1-one
CID 137509106
3-(Pyrimidin-5-yl)propanamide
CID 91363418
N-(1-propionylpiperidin-4-yl)-5-propylpyrimidin-2-amine
CID 124207034
1-[(2R)-2-tert-butylmorpholin-4-yl]-3-pyrimidin-5-ylpropan-1-one
CID 125143776
1-Methyl-4-(5-propylpyrimidin-2-YL)piperazin-2-one
CID 129612994
2-(1-{[2-(2-methoxyethyl)pyrimidin-5-yl]methyl}piperidin-4-yl)-N,N-dimethylacetamide formate
CID 131931704
3-pyrimidin-5-yl-N-[(2S)-3,3,3-trifluoro-2-morpholin-4-ylpropyl]propanamide
CID 164637606
Tert-butyl 4-(2-fluoropyrimidin-5-yl)piperidine-1-carboxylate
CID 166459277

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxypyrimidin-5-yl)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-(2-ethoxypyrimidin-5-yl)-1-piperidin-1-ylpropan-1-one (CID 110487370) is 3-(2-ethoxypyrimidin-5-yl)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2-ethoxypyrimidin-5-yl)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-(2-ethoxypyrimidin-5-yl)-1-piperidin-1-ylpropan-1-one is CCOc1ncc(CCC(=O)N2CCCCC2)cn1.
What is the InChIKey of 3-(2-ethoxypyrimidin-5-yl)-1-piperidin-1-ylpropan-1-one?
The InChIKey is RZAGTSFBKQJPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-19-14-15-10-12(11-16-14)6-7-13(18)17-8-4-3-5-9-17/h10-11H,2-9H2,1H3.
What are the key properties of 3-(2-ethoxypyrimidin-5-yl)-1-piperidin-1-ylpropan-1-one?
3-(2-ethoxypyrimidin-5-yl)-1-piperidin-1-ylpropan-1-one has a molecular weight of 263.34 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxypyrimidin-5-yl)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 110487370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).