1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-morpholin-4-ylethyl)piperidine-4-carboxylic acid

C17H30N2O5 — CID 118522742

IUPAC1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-morpholin-4-ylethyl)piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(CCN2CCOCC2)(C(=O)O)CC1
InChIInChI=1S/C17H30N2O5/c1-16(2,3)24-15(22)19-8-5-17(6-9-19,14(20)21)4-7-18-10-12-23-13-11-18/h4-13H2,1-3H3,(H,20,21)
InChIKeyYRRSLBOTBPSBCV-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.81
Rot. Bonds4

About 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-morpholin-4-ylethyl)piperidine-4-carboxylic acid

1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-morpholin-4-ylethyl)piperidine-4-carboxylic acid (PubChem CID 118522742) has the molecular formula C17H30N2O5 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-morpholin-4-ylethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-morpholin-4-ylethyl)piperidine-4-carboxylic acid
PubChem CID118522742
Molecular FormulaC17H30N2O5
Molecular Weight342.44 g/mol
Exact Mass342.22
IUPAC Name1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-morpholin-4-ylethyl)piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(CCN2CCOCC2)(C(=O)O)CC1
InChIInChI=1S/C17H30N2O5/c1-16(2,3)24-15(22)19-8-5-17(6-9-19,14(20)21)4-7-18-10-12-23-13-11-18/h4-13H2,1-3H3,(H,20,21)
InChIKeyYRRSLBOTBPSBCV-UHFFFAOYSA-N
XLogP1.81
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-morpholin-4-ylethyl)piperidine-4-carboxylic acid with MolForge

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Related Compounds

Sdccgsbi-0662510.P001
CID 134787962
1-(((1-(tert-Butoxycarbonyl)piperidin-4-yl)methoxy)carbonyl)-4-fluoropiperidine-4-carboxylic acid
CID 155895393
1-(4-Morpholin-4-ylbutyryl)piperidine-4-carboxylic acid
CID 17908768
Ethyl 1-(4-morpholin-4-ylbutyryl)4-piperidinecarboxylate
CID 18521561
1-[1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid
CID 21892290
1-((1-(tert-Butoxycarbonyl)piperidin-4-yl)methyl)piperidine-4-carboxylic acid
CID 45036923
1-Tert-butyl 4-ethyl 4-(2-(dimethylamino)ethyl)piperidine-1,4-dicarboxylate
CID 67036842
1-(Tert-butoxycarbonyl)-4-(2-(dimethylamino)ethyl)piperidine-4-carboxylic acid
CID 67036857
1-O-tert-butyl 4-O-ethyl 4-fluoropiperidine-1,4-dicarboxylate;tert-butyl 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylate
CID 67127193
1-O-tert-butyl 4-O-methyl piperidine-1,4-dicarboxylate;1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 69339164
Methyl 1-[2-(2,2-dimethylmorpholin-4-yl)acetyl]-4-methylpiperidine-4-carboxylate
CID 70907043
1-O-tert-butyl 4-O-[(1-methylpiperidin-4-yl)methyl] piperidine-1,4-dicarboxylate
CID 118522490

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-morpholin-4-ylethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-morpholin-4-ylethyl)piperidine-4-carboxylic acid (CID 118522742) is 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-morpholin-4-ylethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-morpholin-4-ylethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-morpholin-4-ylethyl)piperidine-4-carboxylic acid is CC(C)(C)OC(=O)N1CCC(CCN2CCOCC2)(C(=O)O)CC1.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-morpholin-4-ylethyl)piperidine-4-carboxylic acid?
The InChIKey is YRRSLBOTBPSBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O5/c1-16(2,3)24-15(22)19-8-5-17(6-9-19,14(20)21)4-7-18-10-12-23-13-11-18/h4-13H2,1-3H3,(H,20,21).
What are the key properties of 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-morpholin-4-ylethyl)piperidine-4-carboxylic acid?
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-morpholin-4-ylethyl)piperidine-4-carboxylic acid has a molecular weight of 342.44 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-morpholin-4-ylethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 118522742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).