1-(piperidin-4-ylcarbamoyl)piperidine-2-carboxylic acid

C12H21N3O3 — CID 61402855

IUPAC1-(piperidin-4-ylcarbamoyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)NC1CCNCC1
InChIInChI=1S/C12H21N3O3/c16-11(17)10-3-1-2-8-15(10)12(18)14-9-4-6-13-7-5-9/h9-10,13H,1-8H2,(H,14,18)(H,16,17)
InChIKeySTWTWFLXTJJEDA-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.39
Rot. Bonds2

About 1-(piperidin-4-ylcarbamoyl)piperidine-2-carboxylic acid

1-(piperidin-4-ylcarbamoyl)piperidine-2-carboxylic acid (PubChem CID 61402855) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-(piperidin-4-ylcarbamoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(piperidin-4-ylcarbamoyl)piperidine-2-carboxylic acid
PubChem CID61402855
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC Name1-(piperidin-4-ylcarbamoyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)NC1CCNCC1
InChIInChI=1S/C12H21N3O3/c16-11(17)10-3-1-2-8-15(10)12(18)14-9-4-6-13-7-5-9/h9-10,13H,1-8H2,(H,14,18)(H,16,17)
InChIKeySTWTWFLXTJJEDA-UHFFFAOYSA-N
XLogP0.39
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(piperidin-4-ylcarbamoyl)piperidine-2-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

1-(cyclopropylcarbamoyl)piperidine-2-carboxylic acid
CID 61187930
(2R)-1-(cyclobutylcarbamoyl)piperidine-2-carboxylic acid
CID 94424057
(2R)-1-(cyclopentylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78922982
(2S)-1-[(4-hydroxycyclohexyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61186326
(2R)-1-[(1-methylpiperidin-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78922873
1-[(1-methylpyrrolidin-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 54950139
(2S)-1-[(1,1-dioxothian-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61201651
1-[(1,1-dioxothian-4-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61201455
1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-2-carboxylic acid
CID 61223087
N-cyclobutyl-2-piperidin-4-ylazepane-1-carboxamide
CID 116658214
(2S)-1-(ethylcarbamoyl)piperidine-2-carboxylic acid
CID 66264798
1-[(2,2-dimethylcyclopropyl)carbamoyl]azepane-2-carboxylic acid
CID 64564491

Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-4-ylcarbamoyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(piperidin-4-ylcarbamoyl)piperidine-2-carboxylic acid (CID 61402855) is 1-(piperidin-4-ylcarbamoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(piperidin-4-ylcarbamoyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(piperidin-4-ylcarbamoyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)NC1CCNCC1.
What is the InChIKey of 1-(piperidin-4-ylcarbamoyl)piperidine-2-carboxylic acid?
The InChIKey is STWTWFLXTJJEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c16-11(17)10-3-1-2-8-15(10)12(18)14-9-4-6-13-7-5-9/h9-10,13H,1-8H2,(H,14,18)(H,16,17).
What are the key properties of 1-(piperidin-4-ylcarbamoyl)piperidine-2-carboxylic acid?
1-(piperidin-4-ylcarbamoyl)piperidine-2-carboxylic acid has a molecular weight of 255.32 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-4-ylcarbamoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 61402855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).