2-[2-(methylcarbamoyl)piperidin-1-yl]pentanoic acid

C12H22N2O3 — CID 83041390

IUPAC2-[2-(methylcarbamoyl)piperidin-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)N1CCCCC1C(=O)NC
InChIInChI=1S/C12H22N2O3/c1-3-6-10(12(16)17)14-8-5-4-7-9(14)11(15)13-2/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeySMHXWSGJRZYRRU-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.84
Rot. Bonds5

About 2-[2-(methylcarbamoyl)piperidin-1-yl]pentanoic acid

2-[2-(methylcarbamoyl)piperidin-1-yl]pentanoic acid (PubChem CID 83041390) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 2-[2-(methylcarbamoyl)piperidin-1-yl]pentanoic acid.

Molecular Properties

Compound Name2-[2-(methylcarbamoyl)piperidin-1-yl]pentanoic acid
PubChem CID83041390
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name2-[2-(methylcarbamoyl)piperidin-1-yl]pentanoic acid
SMILESCCCC(C(=O)O)N1CCCCC1C(=O)NC
InChIInChI=1S/C12H22N2O3/c1-3-6-10(12(16)17)14-8-5-4-7-9(14)11(15)13-2/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeySMHXWSGJRZYRRU-UHFFFAOYSA-N
XLogP0.84
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[2-(methylcarbamoyl)piperidin-1-yl]butanoate
CID 64663491
2-[2-(2-oxopropyl)piperidin-1-yl]pentanoic acid
CID 83041043
3-[2-(methylcarbamoyl)piperidine-1-carbonyl]-2-[2-(methylcarbamoyl)piperidin-1-yl]octanoic acid
CID 139919241
2-(2-carbamothioylpiperidin-1-yl)butanoic acid
CID 64662154
1-(1-hydrazinyl-1-oxobutan-2-yl)-N-methylpyrrolidine-2-carboxamide
CID 63577874
N-methyl-1-propan-2-ylpyrrolidine-2-carboxamide
CID 21355300
(2S)-2-[[2-(methylcarbamoyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 107145793
(2R)-N-methyl-1-propylpyrrolidine-2-carboxamide
CID 142459881
2-[3-(ethylcarbamoyl)morpholin-4-yl]pentanoic acid
CID 83100616
2-(azepan-1-yl)pentanoic acid
CID 43866463
4-amino-2-(2-propylpiperidin-1-yl)butanoic acid
CID 83057524
(2R)-2-[[(2S)-1-butanoylpiperidine-2-carbonyl]amino]pentanoic acid
CID 97338754

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methylcarbamoyl)piperidin-1-yl]pentanoic acid?
The IUPAC name of 2-[2-(methylcarbamoyl)piperidin-1-yl]pentanoic acid (CID 83041390) is 2-[2-(methylcarbamoyl)piperidin-1-yl]pentanoic acid.
What is the SMILES notation for 2-[2-(methylcarbamoyl)piperidin-1-yl]pentanoic acid?
The canonical SMILES for 2-[2-(methylcarbamoyl)piperidin-1-yl]pentanoic acid is CCCC(C(=O)O)N1CCCCC1C(=O)NC.
What is the InChIKey of 2-[2-(methylcarbamoyl)piperidin-1-yl]pentanoic acid?
The InChIKey is SMHXWSGJRZYRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-6-10(12(16)17)14-8-5-4-7-9(14)11(15)13-2/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[2-(methylcarbamoyl)piperidin-1-yl]pentanoic acid?
2-[2-(methylcarbamoyl)piperidin-1-yl]pentanoic acid has a molecular weight of 242.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methylcarbamoyl)piperidin-1-yl]pentanoic acid is sourced from PubChem (CID 83041390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).