1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]-6-methylpiperidine-3-carboxylic acid

C20H32N2O4 — CID 122113722

IUPAC1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)C1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C20H32N2O4/c1-13-6-7-16(20(25)26)12-22(13)19(24)15-8-10-17(11-9-15)21-18(23)14-4-2-3-5-14/h13-17H,2-12H2,1H3,(H,21,23)(H,25,26)
InChIKeyOQXXUGNENVIMSR-UHFFFAOYSA-N
MW364.49 g/mol
LogP2.56
Rot. Bonds4

About 1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]-6-methylpiperidine-3-carboxylic acid

1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]-6-methylpiperidine-3-carboxylic acid (PubChem CID 122113722) has the molecular formula C20H32N2O4 and a molecular weight of 364.49 g/mol. Its IUPAC name is 1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]-6-methylpiperidine-3-carboxylic acid
PubChem CID122113722
Molecular FormulaC20H32N2O4
Molecular Weight364.49 g/mol
Exact Mass364.24
IUPAC Name1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)C1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C20H32N2O4/c1-13-6-7-16(20(25)26)12-22(13)19(24)15-8-10-17(11-9-15)21-18(23)14-4-2-3-5-14/h13-17H,2-12H2,1H3,(H,21,23)(H,25,26)
InChIKeyOQXXUGNENVIMSR-UHFFFAOYSA-N
XLogP2.56
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120679065
1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122083640
1-(bicyclo[4.1.0]heptane-7-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122083654
N-cyclopropylcycloheptanecarboxamide
CID 62778853
N-cyclopropylcyclohexanecarboxamide
CID 3412875
cyclohexyl-[(2R,5S)-2,5-dimethylpiperidin-1-yl]methanone
CID 145040393
3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764
4-(cyclobutylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784542
N-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]cyclopentanecarboxamide
CID 119651183
3-(cyclooctylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549818
3-(2,5-dimethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103550866
N-cyclodecylcyclododecanecarboxamide
CID 135182352

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]-6-methylpiperidine-3-carboxylic acid (CID 122113722) is 1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]-6-methylpiperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1C(=O)C1CCC(NC(=O)C2CCCC2)CC1.
What is the InChIKey of 1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]-6-methylpiperidine-3-carboxylic acid?
The InChIKey is OQXXUGNENVIMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O4/c1-13-6-7-16(20(25)26)12-22(13)19(24)15-8-10-17(11-9-15)21-18(23)14-4-2-3-5-14/h13-17H,2-12H2,1H3,(H,21,23)(H,25,26).
What are the key properties of 1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]-6-methylpiperidine-3-carboxylic acid?
1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]-6-methylpiperidine-3-carboxylic acid has a molecular weight of 364.49 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122113722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).