4-[(2R)-2-(methylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylic acid

C13H23N3O3 — CID 118295136

IUPAC4-[(2R)-2-(methylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylic acid
SMILESCNC(=O)[C@H]1CCCCN1C1CCN(C(=O)O)CC1
InChIInChI=1S/C13H23N3O3/c1-14-12(17)11-4-2-3-7-16(11)10-5-8-15(9-6-10)13(18)19/h10-11H,2-9H2,1H3,(H,14,17)(H,18,19)/t11-/m1/s1
InChIKeyHLQFFLCJBJMQNA-LLVKDONJSA-N
MW269.34 g/mol
LogP0.73
Rot. Bonds2

About 4-[(2R)-2-(methylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylic acid

4-[(2R)-2-(methylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylic acid (PubChem CID 118295136) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 4-[(2R)-2-(methylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(2R)-2-(methylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylic acid
PubChem CID118295136
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name4-[(2R)-2-(methylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylic acid
SMILESCNC(=O)[C@H]1CCCCN1C1CCN(C(=O)O)CC1
InChIInChI=1S/C13H23N3O3/c1-14-12(17)11-4-2-3-7-16(11)10-5-8-15(9-6-10)13(18)19/h10-11H,2-9H2,1H3,(H,14,17)(H,18,19)/t11-/m1/s1
InChIKeyHLQFFLCJBJMQNA-LLVKDONJSA-N
XLogP0.73
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-methylpyrrolidine-2-carboxamide
CID 126990833
N-methyl-1-(1-methylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 118534964
1-(4-hydroxycyclohexyl)-N-methylpyrrolidine-2-carboxamide
CID 114762479
(2S)-N-methyl-1-piperidin-4-ylpyrrolidine-2-carboxamide
CID 93446902
1-[4-(ethylamino)cyclohexyl]-N-methylpyrrolidine-2-carboxamide
CID 114763026
(2S)-1-(1-methylpiperidin-4-yl)piperidine-2-carboxylic acid
CID 68690983
(4S)-4-[2-[methyl(2-methylpropyl)carbamoyl]piperidin-1-yl]azepane-1-carboxylic acid
CID 129186281
N-methyl-1-[4-(propylamino)cyclohexyl]pyrrolidine-2-carboxamide
CID 114763027
1-acetyl-N-methylpiperidine-2-carboxamide
CID 10607550
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperidine-2-carboxylic acid
CID 86615162
N-methyl-1-(4-methylpiperidine-1-carbonyl)piperidine-2-carboxamide
CID 116654881
1-[1-(dimethylcarbamoyl)piperidin-4-yl]pyrrolidine-2-carboxylic acid
CID 61195156

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(methylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(2R)-2-(methylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylic acid (CID 118295136) is 4-[(2R)-2-(methylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(2R)-2-(methylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(2R)-2-(methylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylic acid is CNC(=O)[C@H]1CCCCN1C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(2R)-2-(methylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylic acid?
The InChIKey is HLQFFLCJBJMQNA-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-14-12(17)11-4-2-3-7-16(11)10-5-8-15(9-6-10)13(18)19/h10-11H,2-9H2,1H3,(H,14,17)(H,18,19)/t11-/m1/s1.
What are the key properties of 4-[(2R)-2-(methylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylic acid?
4-[(2R)-2-(methylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(methylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 118295136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).