2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid

C12H17N3O3 — CID 55104995

IUPAC2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid
SMILESCOc1ccnc(N2CCCC(CC(=O)O)C2)n1
InChIInChI=1S/C12H17N3O3/c1-18-10-4-5-13-12(14-10)15-6-2-3-9(8-15)7-11(16)17/h4-5,9H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyLKRGOWATZFCCRU-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.18
Rot. Bonds4

About 2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid

2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid (PubChem CID 55104995) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid
PubChem CID55104995
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid
SMILESCOc1ccnc(N2CCCC(CC(=O)O)C2)n1
InChIInChI=1S/C12H17N3O3/c1-18-10-4-5-13-12(14-10)15-6-2-3-9(8-15)7-11(16)17/h4-5,9H,2-3,6-8H2,1H3,(H,16,17)
InChIKeyLKRGOWATZFCCRU-UHFFFAOYSA-N
XLogP1.18
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 63761850
2-[1-(4-propan-2-yloxypyrimidin-2-yl)pyrrolidin-3-yl]acetic acid
CID 112636156
2-(1-pyrimidin-2-ylpiperidin-3-yl)acetic acid
CID 62690962
2-(3-fluoropiperidin-1-yl)-4-methoxypyrimidine
CID 171701610
2-[3-[(2-chlorophenoxy)methyl]piperidin-1-yl]-4-methoxypyrimidine
CID 133390624
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
(2S)-1-(4-methoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 93274420
N-tert-butyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide
CID 166600760
tert-butyl N-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]carbamate
CID 97007663
4-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 126817206
N-[[1-(4-ethoxypyrimidin-2-yl)piperidin-3-yl]methyl]propan-1-amine
CID 115975647
1-[(3R)-1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]pyrrolidin-2-one
CID 95557149

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid (CID 55104995) is 2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid is COc1ccnc(N2CCCC(CC(=O)O)C2)n1.
What is the InChIKey of 2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid?
The InChIKey is LKRGOWATZFCCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-10-4-5-13-12(14-10)15-6-2-3-9(8-15)7-11(16)17/h4-5,9H,2-3,6-8H2,1H3,(H,16,17).
What are the key properties of 2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid?
2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid has a molecular weight of 251.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxypyrimidin-2-yl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 55104995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).