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

C23H37N3O6 — CID 178154076

IUPAC1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C(=O)N3CCC(C(=O)O)CC3)CC2)CC1
InChIInChI=1S/C23H37N3O6/c1-23(2,3)32-22(31)26-14-6-17(7-15-26)20(28)24-10-4-16(5-11-24)19(27)25-12-8-18(9-13-25)21(29)30/h16-18H,4-15H2,1-3H3,(H,29,30)
InChIKeyIQFSRQGWUQSNLZ-UHFFFAOYSA-N
MW451.56 g/mol
LogP2.20
Rot. Bonds3

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

1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid (PubChem CID 178154076) has the molecular formula C23H37N3O6 and a molecular weight of 451.56 g/mol. Its IUPAC name is 1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid
PubChem CID178154076
Molecular FormulaC23H37N3O6
Molecular Weight451.56 g/mol
Exact Mass451.27
IUPAC Name1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C(=O)N3CCC(C(=O)O)CC3)CC2)CC1
InChIInChI=1S/C23H37N3O6/c1-23(2,3)32-22(31)26-14-6-17(7-15-26)20(28)24-10-4-16(5-11-24)19(27)25-12-8-18(9-13-25)21(29)30/h16-18H,4-15H2,1-3H3,(H,29,30)
InChIKeyIQFSRQGWUQSNLZ-UHFFFAOYSA-N
XLogP2.20
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.56
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-(4-methylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 3342289
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-3-carboxylic acid
CID 119028566
methyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]-1,4-diazepane-1-carboxylate
CID 52843125
1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid;pyrrolidine-2,5-dione
CID 67620494
tert-butyl 4-[4-(2,2-dimethylpropyl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 110629364
tert-butyl 3-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 129314371
methyl 4-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carboxylate
CID 168882498
tert-butyl 4-(N-methyl-C-methylsulfanylcarbonimidoyl)piperidine-1-carboxylate
CID 134357901
tert-butyl 4-(1,3-dihydroisoindole-2-carbonyl)piperidine-1-carboxylate
CID 169094693
tert-butyl 4-(oxane-4-carbonyl)-1,4-diazepane-1-carboxylate;ethane
CID 143680712
1-(5-amino-2-methylpentan-2-yl)oxycarbonylpiperidine-4-carboxylic acid
CID 70832750
tert-butyl 4-[4-(5-bromo-1,3,4-thiadiazol-2-yl)piperazine-1-carbonyl]piperidine-1-carboxylate
CID 156836449

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid (CID 178154076) is 1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC(C(=O)N3CCC(C(=O)O)CC3)CC2)CC1.
What is the InChIKey of 1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid?
The InChIKey is IQFSRQGWUQSNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O6/c1-23(2,3)32-22(31)26-14-6-17(7-15-26)20(28)24-10-4-16(5-11-24)19(27)25-12-8-18(9-13-25)21(29)30/h16-18H,4-15H2,1-3H3,(H,29,30).
What are the key properties of 1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid?
1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid has a molecular weight of 451.56 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carbonyl]piperidine-4-carbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 178154076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).