3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

C15H27N3O3 — CID 63041940

IUPAC3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCNCC1CCCN(C(=O)NC2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C15H27N3O3/c1-16-9-11-4-3-7-18(10-11)15(21)17-13-6-2-5-12(8-13)14(19)20/h11-13,16H,2-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyOYYUIZSNFJEVLU-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.27
Rot. Bonds4

About 3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 63041940) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID63041940
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCNCC1CCCN(C(=O)NC2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C15H27N3O3/c1-16-9-11-4-3-7-18(10-11)15(21)17-13-6-2-5-12(8-13)14(19)20/h11-13,16H,2-10H2,1H3,(H,17,21)(H,19,20)
InChIKeyOYYUIZSNFJEVLU-UHFFFAOYSA-N
XLogP1.27
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(3-ethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126411
3-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 113418310
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147885
4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216190
3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 103197211
1-[(3-ethylcyclohexyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 64742360
(3S)-1-[(3,5-dimethylcyclohexyl)carbamoyl]piperidine-3-carboxylic acid
CID 81126261
(3R)-1-[(1-methylpiperidin-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 81120892
3-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 63042467
3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 115535206
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 65023448
3-[(4-aminopiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 55147693

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 63041940) is 3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is CNCC1CCCN(C(=O)NC2CCCC(C(=O)O)C2)C1.
What is the InChIKey of 3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is OYYUIZSNFJEVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-16-9-11-4-3-7-18(10-11)15(21)17-13-6-2-5-12(8-13)14(19)20/h11-13,16H,2-10H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63041940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).