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

C14H24N2O5 — CID 172761358

IUPAC4-(dimethylcarbamoyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCN(C)C(=O)C1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H24N2O5/c1-13(2,3)21-12(20)16-8-6-14(7-9-16,11(18)19)10(17)15(4)5/h6-9H2,1-5H3,(H,18,19)
InChIKeyLSMSTKXKEFLFNF-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.18
Rot. Bonds2

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

4-(dimethylcarbamoyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (PubChem CID 172761358) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-(dimethylcarbamoyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(dimethylcarbamoyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
PubChem CID172761358
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name4-(dimethylcarbamoyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
SMILESCN(C)C(=O)C1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H24N2O5/c1-13(2,3)21-12(20)16-8-6-14(7-9-16,11(18)19)10(17)15(4)5/h6-9H2,1-5H3,(H,18,19)
InChIKeyLSMSTKXKEFLFNF-UHFFFAOYSA-N
XLogP1.18
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
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-[(Tert-butoxy)carbonyl]-4-ethylpiperidine-4-carboxylic acid
CID 22169097
N-Boc-4-cyanopiperidine-4-carboxylic acid
CID 57750275
1-tert-Butyl 4-methyl 4-(hydroxymethyl)piperidine-1,4-dicarboxylate
CID 57920278
1-((Tert-butoxy)carbonyl)-4-(methoxycarbonyl)piperidine-4-carboxylic acid
CID 57920282
1-(1,1-Dimethylethyl) 4-(aminomethyl)-1,4-piperidinedicarboxylate
CID 71089163
1-[(Tert-butoxy)carbonyl]-3,3-dimethylpiperidine-4-carboxylic acid
CID 84709133
1,4-Bis((tert-butoxy)carbonyl)piperidine-4-carboxylic acid
CID 122155753
1-[(Tert-butoxy)carbonyl]-3,3,5,5-tetramethylpiperidine-4-carboxylic acid
CID 105524546
4-(2,2-Difluoropropylcarbamoyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 166454672
1-[(2-Methylpropan-2-yl)oxycarbonyl]-4-(3,3,4,4-tetrafluoropyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 166454784

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylcarbamoyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-(dimethylcarbamoyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid (CID 172761358) is 4-(dimethylcarbamoyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(dimethylcarbamoyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-(dimethylcarbamoyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is CN(C)C(=O)C1(C(=O)O)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 4-(dimethylcarbamoyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
The InChIKey is LSMSTKXKEFLFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-13(2,3)21-12(20)16-8-6-14(7-9-16,11(18)19)10(17)15(4)5/h6-9H2,1-5H3,(H,18,19).
What are the key properties of 4-(dimethylcarbamoyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid?
4-(dimethylcarbamoyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid has a molecular weight of 300.36 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylcarbamoyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 172761358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).