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

C15H27N3O3 — CID 61408559

IUPAC1-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCNCC1CCCN(C(=O)NC2(C(=O)O)CCCCC2)C1
InChIInChI=1S/C15H27N3O3/c1-16-10-12-6-5-9-18(11-12)14(21)17-15(13(19)20)7-3-2-4-8-15/h12,16H,2-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyFVEMPPHYFBWLQZ-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.41
Rot. Bonds4

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

1-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 61408559) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 1-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID61408559
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name1-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESCNCC1CCCN(C(=O)NC2(C(=O)O)CCCCC2)C1
InChIInChI=1S/C15H27N3O3/c1-16-10-12-6-5-9-18(11-12)14(21)17-15(13(19)20)7-3-2-4-8-15/h12,16H,2-11H2,1H3,(H,17,21)(H,19,20)
InChIKeyFVEMPPHYFBWLQZ-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81162733
1-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 106588000
N-[1-[3-(methylaminomethyl)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride
CID 119394929
1-[(3-methylpyrrolidine-1-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 61225245
4-[(3-ethylpiperidine-1-carbonyl)amino]oxane-4-carboxylic acid
CID 115292892
1-[(3-carbamoylpiperidine-1-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81161145
1-[(3,5-dimethylpiperidine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61190558
3-(methylaminomethyl)piperidine-1-carboxamide
CID 61204552
2-cyclopropyl-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119398117
cyclooctyl-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 65023448
1-[(4-aminopiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 61403018
1-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63615527

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 61408559) is 1-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is CNCC1CCCN(C(=O)NC2(C(=O)O)CCCCC2)C1.
What is the InChIKey of 1-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is FVEMPPHYFBWLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-16-10-12-6-5-9-18(11-12)14(21)17-15(13(19)20)7-3-2-4-8-15/h12,16H,2-11H2,1H3,(H,17,21)(H,19,20).
What are the key properties of 1-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
1-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 297.40 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 61408559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).