1-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]piperidine-4-carboxylic acid

C18H26N2O4 — CID 146344171

IUPAC1-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)CCc1ccc(N2CCC(C(=O)O)CC2)nc1
InChIInChI=1S/C18H26N2O4/c1-18(2,3)24-16(21)7-5-13-4-6-15(19-12-13)20-10-8-14(9-11-20)17(22)23/h4,6,12,14H,5,7-11H2,1-3H3,(H,22,23)
InChIKeyARPSKLNZHUZPDP-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.66
Rot. Bonds5

About 1-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]piperidine-4-carboxylic acid

1-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]piperidine-4-carboxylic acid (PubChem CID 146344171) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]piperidine-4-carboxylic acid
PubChem CID146344171
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Name1-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)CCc1ccc(N2CCC(C(=O)O)CC2)nc1
InChIInChI=1S/C18H26N2O4/c1-18(2,3)24-16(21)7-5-13-4-6-15(19-12-13)20-10-8-14(9-11-20)17(22)23/h4,6,12,14H,5,7-11H2,1-3H3,(H,22,23)
InChIKeyARPSKLNZHUZPDP-UHFFFAOYSA-N
XLogP2.66
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]piperidine-4-carboxylic acid with MolForge

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Related Compounds

6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
1-[5-(aminomethyl)-2-pyridinyl]azepane-4-carboxylic acid
CID 123851313
CID 166471893
CID 166471893
tert-butyl 2-[1-(5-bromo-2-pyridinyl)piperidin-4-yl]acetate;ethane
CID 166113585
1-(5-hydroxy-2-pyridinyl)piperidine-4-carboxylic acid
CID 67234813
1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 66656112
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
methyl (4R)-5-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methylamino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 124883309
tert-butyl N-[(6-morpholin-4-yl-3-pyridinyl)methyl]carbamate
CID 63787976
tert-butyl 4-[5-(4-azidobutyl)-2-pyridinyl]piperazine-1-carboxylate
CID 167439824
1-O-amino 3-O-tert-butyl 2-[(6-piperidin-1-yl-3-pyridinyl)methyl]-2-propan-2-ylpropanedioate
CID 174695760
1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 103340811

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]piperidine-4-carboxylic acid (CID 146344171) is 1-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)CCc1ccc(N2CCC(C(=O)O)CC2)nc1.
What is the InChIKey of 1-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]piperidine-4-carboxylic acid?
The InChIKey is ARPSKLNZHUZPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-18(2,3)24-16(21)7-5-13-4-6-15(19-12-13)20-10-8-14(9-11-20)17(22)23/h4,6,12,14H,5,7-11H2,1-3H3,(H,22,23).
What are the key properties of 1-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]piperidine-4-carboxylic acid?
1-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]piperidine-4-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-2-pyridinyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 146344171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).