1-[(2R)-2-(6-methoxypyrimidin-4-yl)oxyhex-5-enyl]piperidine-4-carboxylic acid

C17H25N3O4 — CID 95867504

IUPAC1-[(2R)-2-(6-methoxypyrimidin-4-yl)oxyhex-5-enyl]piperidine-4-carboxylic acid
SMILESC=CCC[C@H](CN1CCC(C(=O)O)CC1)Oc1cc(OC)ncn1
InChIInChI=1S/C17H25N3O4/c1-3-4-5-14(24-16-10-15(23-2)18-12-19-16)11-20-8-6-13(7-9-20)17(21)22/h3,10,12-14H,1,4-9,11H2,2H3,(H,21,22)/t14-/m1/s1
InChIKeyOFSOKVUMOQBRIS-CQSZACIVSA-N
MW335.40 g/mol
LogP2.00
Rot. Bonds9

About 1-[(2R)-2-(6-methoxypyrimidin-4-yl)oxyhex-5-enyl]piperidine-4-carboxylic acid

1-[(2R)-2-(6-methoxypyrimidin-4-yl)oxyhex-5-enyl]piperidine-4-carboxylic acid (PubChem CID 95867504) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-[(2R)-2-(6-methoxypyrimidin-4-yl)oxyhex-5-enyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2R)-2-(6-methoxypyrimidin-4-yl)oxyhex-5-enyl]piperidine-4-carboxylic acid
PubChem CID95867504
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name1-[(2R)-2-(6-methoxypyrimidin-4-yl)oxyhex-5-enyl]piperidine-4-carboxylic acid
SMILESC=CCC[C@H](CN1CCC(C(=O)O)CC1)Oc1cc(OC)ncn1
InChIInChI=1S/C17H25N3O4/c1-3-4-5-14(24-16-10-15(23-2)18-12-19-16)11-20-8-6-13(7-9-20)17(21)22/h3,10,12-14H,1,4-9,11H2,2H3,(H,21,22)/t14-/m1/s1
InChIKeyOFSOKVUMOQBRIS-CQSZACIVSA-N
XLogP2.00
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2-methoxyethyl)-N-methyl-2-(6-piperidin-1-ylpyrimidin-4-yl)oxyhex-5-en-1-amine
CID 95897800
5-(piperidin-1-ylmethyl)-2-[(2R)-1-pyrrolidin-1-ylhex-5-en-2-yl]oxypyridine
CID 95897061
1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 115354736
1-(6-methoxypyrimidin-4-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171700843
1-(6-methoxypyrimidin-4-yl)azocane-2-carboxylic acid
CID 114239764
cis-(1R,3S)-3-[(6-methoxypyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 106322063
N-cyclopropyl-1-(6-methoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 163345372
1-(6-ethoxypyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 86795906
1-(6-methoxypyrimidin-4-yl)pent-4-enylhydrazine
CID 102953290
(3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide
CID 95125854
(3aS,7aS)-2-(6-methoxypyrimidin-4-yl)-5-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 97402573
2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814254

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(6-methoxypyrimidin-4-yl)oxyhex-5-enyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2R)-2-(6-methoxypyrimidin-4-yl)oxyhex-5-enyl]piperidine-4-carboxylic acid (CID 95867504) is 1-[(2R)-2-(6-methoxypyrimidin-4-yl)oxyhex-5-enyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2R)-2-(6-methoxypyrimidin-4-yl)oxyhex-5-enyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2R)-2-(6-methoxypyrimidin-4-yl)oxyhex-5-enyl]piperidine-4-carboxylic acid is C=CCC[C@H](CN1CCC(C(=O)O)CC1)Oc1cc(OC)ncn1.
What is the InChIKey of 1-[(2R)-2-(6-methoxypyrimidin-4-yl)oxyhex-5-enyl]piperidine-4-carboxylic acid?
The InChIKey is OFSOKVUMOQBRIS-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-3-4-5-14(24-16-10-15(23-2)18-12-19-16)11-20-8-6-13(7-9-20)17(21)22/h3,10,12-14H,1,4-9,11H2,2H3,(H,21,22)/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-(6-methoxypyrimidin-4-yl)oxyhex-5-enyl]piperidine-4-carboxylic acid?
1-[(2R)-2-(6-methoxypyrimidin-4-yl)oxyhex-5-enyl]piperidine-4-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(6-methoxypyrimidin-4-yl)oxyhex-5-enyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 95867504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).