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

C12H20N2O5 — CID 59486918

IUPAC4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(C(N)=O)(C(=O)O)CC1
InChIInChI=1S/C12H20N2O5/c1-11(2,3)19-10(18)14-6-4-12(5-7-14,8(13)15)9(16)17/h4-7H2,1-3H3,(H2,13,15)(H,16,17)
InChIKeyAYWNRLBKSPYHIW-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.57
Rot. Bonds2

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

4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (PubChem CID 59486918) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
PubChem CID59486918
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(C(N)=O)(C(=O)O)CC1
InChIInChI=1S/C12H20N2O5/c1-11(2,3)19-10(18)14-6-4-12(5-7-14,8(13)15)9(16)17/h4-7H2,1-3H3,(H2,13,15)(H,16,17)
InChIKeyAYWNRLBKSPYHIW-UHFFFAOYSA-N
XLogP0.57
TPSA109.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-[(Tert-butoxy)carbonyl]-4-methylpiperidine-4-carboxylic acid
CID 23282848
1-((Tert-butoxy)carbonyl)-4-(methoxymethyl)piperidine-4-carboxylic acid
CID 21882576
1,4-Di-tert-butyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
CID 21948349
1-[(Tert-butoxy)carbonyl]-4-ethylpiperidine-4-carboxylic acid
CID 22169097
1-tert-Butyl 4-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
CID 25418822
1-((Tert-butoxy)carbonyl)-4-(methoxycarbonyl)piperidine-4-carboxylic acid
CID 57920282
1-(1,1-Dimethylethyl) 4-(aminomethyl)-1,4-piperidinedicarboxylate
CID 71089163
1,4-Bis((tert-butoxy)carbonyl)piperidine-4-carboxylic acid
CID 122155753
4-(2,2-Difluoropropylcarbamoyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 166454672
1-O-tert-butyl 4-O-methyl 4-(2,2-difluoropropylcarbamoyl)piperidine-1,4-dicarboxylate
CID 166454777
1-[(2-Methylpropan-2-yl)oxycarbonyl]-4-(3,3,4,4-tetrafluoropyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 166454784
1-O-tert-butyl 4-O-deuterio 4-methylpiperidine-1,4-dicarboxylate
CID 164672795

Frequently Asked Questions

What is the IUPAC name of 4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (CID 59486918) is 4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is CC(C)(C)OC(=O)N1CCC(C(N)=O)(C(=O)O)CC1.
What is the InChIKey of 4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The InChIKey is AYWNRLBKSPYHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-11(2,3)19-10(18)14-6-4-12(5-7-14,8(13)15)9(16)17/h4-7H2,1-3H3,(H2,13,15)(H,16,17).
What are the key properties of 4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbamoyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 59486918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).