1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid

C17H26N2O4 — CID 122083640

IUPAC1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C17H26N2O4/c1-11-4-5-14(17(22)23)10-19(11)16(21)13-3-2-8-18(9-13)15(20)12-6-7-12/h11-14H,2-10H2,1H3,(H,22,23)
InChIKeyHDYOYTKXHOMOJX-UHFFFAOYSA-N
MW322.41 g/mol
LogP1.35
Rot. Bonds3

About 1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid

1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid (PubChem CID 122083640) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
PubChem CID122083640
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
SMILESCC1CCC(C(=O)O)CN1C(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C17H26N2O4/c1-11-4-5-14(17(22)23)10-19(11)16(21)13-3-2-8-18(9-13)15(20)12-6-7-12/h11-14H,2-10H2,1H3,(H,22,23)
InChIKeyHDYOYTKXHOMOJX-UHFFFAOYSA-N
XLogP1.35
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115367
1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 43355899
(3R)-1-[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]piperidine-3-carboxylic acid
CID 81126746
1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43170987
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251
(3S)-1-(2-methylpyrrolidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81126014
cyclopropyl-[3-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]methanone
CID 119472927
1-[4-(cyclopentanecarbonylamino)cyclohexanecarbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122113722
(3S)-1-[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119137245
1-(2-methylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 43135680
4-(3,4-dimethylpiperazine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783353
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid (CID 122083640) is 1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid is CC1CCC(C(=O)O)CN1C(=O)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid?
The InChIKey is HDYOYTKXHOMOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-11-4-5-14(17(22)23)10-19(11)16(21)13-3-2-8-18(9-13)15(20)12-6-7-12/h11-14H,2-10H2,1H3,(H,22,23).
What are the key properties of 1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid?
1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid has a molecular weight of 322.41 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122083640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).