1-carbamoylpiperidine-4-carboxylic acid

C7H12N2O3 — CID 3875700

IUPAC1-carbamoylpiperidine-4-carboxylic acid
SMILESNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C7H12N2O3/c8-7(12)9-3-1-5(2-4-9)6(10)11/h5H,1-4H2,(H2,8,12)(H,10,11)
InChIKeySIYQEPJUSPTPGW-UHFFFAOYSA-N
MW172.18 g/mol
LogP-0.14
Rot. Bonds1

About 1-carbamoylpiperidine-4-carboxylic acid

1-carbamoylpiperidine-4-carboxylic acid (PubChem CID 3875700) has the molecular formula C7H12N2O3 and a molecular weight of 172.18 g/mol. Its IUPAC name is 1-carbamoylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-carbamoylpiperidine-4-carboxylic acid
PubChem CID3875700
Molecular FormulaC7H12N2O3
Molecular Weight172.18 g/mol
Exact Mass172.08
IUPAC Name1-carbamoylpiperidine-4-carboxylic acid
SMILESNC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C7H12N2O3/c8-7(12)9-3-1-5(2-4-9)6(10)11/h5H,1-4H2,(H2,8,12)(H,10,11)
InChIKeySIYQEPJUSPTPGW-UHFFFAOYSA-N
XLogP-0.14
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Formyl-4-piperidinecarboxylic Acid
CID 2759232
1-Carbamimidoyl-piperidine-4-carboxylic acid
CID 5152314
1-(Dimethylcarbamoyl)piperidine-4-carboxylic acid
CID 5076474
1-(Tert-butylcarbamoyl)piperidine-4-carboxylic acid
CID 894285
1-[(Propan-2-yl)carbamoyl]piperidine-4-carboxylic acid
CID 28512923
1-(Methylcarbamoyl)piperidine-4-carboxylic acid
CID 43135697
1-(Carbonofluoridoyl)piperidine-4-carboxylic acid
CID 143488886
1-(3-Methylbutylcarbamoyl)piperidine-4-carboxylic acid
CID 28513136
1,4-Piperidinedicarboxylic acid
CID 18542445
Methyl 1-carbamoylpiperidine-4-carboxylate
CID 4850926
1-(Butylcarbamoyl)piperidine-4-carboxylic acid
CID 16228478
1-(Pyrrolidine-1-carbonyl)piperidine-4-carboxylic acid
CID 28512952

Frequently Asked Questions

What is the IUPAC name of 1-carbamoylpiperidine-4-carboxylic acid?
The IUPAC name of 1-carbamoylpiperidine-4-carboxylic acid (CID 3875700) is 1-carbamoylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-carbamoylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-carbamoylpiperidine-4-carboxylic acid is NC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-carbamoylpiperidine-4-carboxylic acid?
The InChIKey is SIYQEPJUSPTPGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O3/c8-7(12)9-3-1-5(2-4-9)6(10)11/h5H,1-4H2,(H2,8,12)(H,10,11).
What are the key properties of 1-carbamoylpiperidine-4-carboxylic acid?
1-carbamoylpiperidine-4-carboxylic acid has a molecular weight of 172.18 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamoylpiperidine-4-carboxylic acid is sourced from PubChem (CID 3875700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).