ethyl 3-(1-pyrimidin-4-ylpiperidin-4-yl)propanoate

C14H21N3O2 — CID 23062650

IUPACethyl 3-(1-pyrimidin-4-ylpiperidin-4-yl)propanoate
SMILESCCOC(=O)CCC1CCN(c2ccncn2)CC1
InChIInChI=1S/C14H21N3O2/c1-2-19-14(18)4-3-12-6-9-17(10-7-12)13-5-8-15-11-16-13/h5,8,11-12H,2-4,6-7,9-10H2,1H3
InChIKeyWYOQFXJGXKXTOZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.04
Rot. Bonds5

About ethyl 3-(1-pyrimidin-4-ylpiperidin-4-yl)propanoate

ethyl 3-(1-pyrimidin-4-ylpiperidin-4-yl)propanoate (PubChem CID 23062650) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 3-(1-pyrimidin-4-ylpiperidin-4-yl)propanoate.

Molecular Properties

Compound Nameethyl 3-(1-pyrimidin-4-ylpiperidin-4-yl)propanoate
PubChem CID23062650
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Nameethyl 3-(1-pyrimidin-4-ylpiperidin-4-yl)propanoate
SMILESCCOC(=O)CCC1CCN(c2ccncn2)CC1
InChIInChI=1S/C14H21N3O2/c1-2-19-14(18)4-3-12-6-9-17(10-7-12)13-5-8-15-11-16-13/h5,8,11-12H,2-4,6-7,9-10H2,1H3
InChIKeyWYOQFXJGXKXTOZ-UHFFFAOYSA-N
XLogP2.04
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Chloropyrimidin-4-yl)piperidine-4-carboxylic acid
CID 45789847
1-(Pyrimidin-4-yl)piperidine-4-carboxylic acid hydrochloride
CID 67239180
N-butyl-2-[1-(2-methoxy-4-pyrimidinyl)-4-piperidyl]-N-methylacetamide
CID 53189240
3-{1-[6-(Ethylamino)pyrimidin-4-yl]piperidin-4-yl}propanoic acid
CID 90488011
3-{1-[6-(Propylamino)pyrimidin-4-YL]piperidin-4-YL}propanoic acid
CID 90488012
1-(Pyrimidin-4-yl)piperidine-3-carboxylic acid hydrochloride
CID 177800057
Ethyl 1-{2-[1-(2-methoxypyrimidin-4-YL)piperidin-4-YL]acetyl}piperidine-4-carboxylate
CID 53189246
N,N-diethyl-2-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
CID 53189265
2-{1-[2-(Methylamino)pyrimidin-4-YL]piperidin-4-YL}acetic acid
CID 90487992
3,3-Diethyl-5-(2-(4-(pyrimidin-4-yl)piperazin-1-yl)ethyl)dihydrofuran-2(3h)-one
CID 122695726
2-[(2R)-1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 164636434
(2S)-6-(2-propan-2-ylpyrimidin-4-yl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 164638010

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-pyrimidin-4-ylpiperidin-4-yl)propanoate?
The IUPAC name of ethyl 3-(1-pyrimidin-4-ylpiperidin-4-yl)propanoate (CID 23062650) is ethyl 3-(1-pyrimidin-4-ylpiperidin-4-yl)propanoate.
What is the SMILES notation for ethyl 3-(1-pyrimidin-4-ylpiperidin-4-yl)propanoate?
The canonical SMILES for ethyl 3-(1-pyrimidin-4-ylpiperidin-4-yl)propanoate is CCOC(=O)CCC1CCN(c2ccncn2)CC1.
What is the InChIKey of ethyl 3-(1-pyrimidin-4-ylpiperidin-4-yl)propanoate?
The InChIKey is WYOQFXJGXKXTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-19-14(18)4-3-12-6-9-17(10-7-12)13-5-8-15-11-16-13/h5,8,11-12H,2-4,6-7,9-10H2,1H3.
What are the key properties of ethyl 3-(1-pyrimidin-4-ylpiperidin-4-yl)propanoate?
ethyl 3-(1-pyrimidin-4-ylpiperidin-4-yl)propanoate has a molecular weight of 263.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-pyrimidin-4-ylpiperidin-4-yl)propanoate is sourced from PubChem (CID 23062650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).