(2R,3R)-1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid

C17H26N2O4 — CID 122115367

IUPAC(2R,3R)-1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C17H26N2O4/c1-11-14(17(22)23)5-3-9-19(11)16(21)13-4-2-8-18(10-13)15(20)12-6-7-12/h11-14H,2-10H2,1H3,(H,22,23)/t11-,13?,14-/m1/s1
InChIKeyZYFKSBCVIMGDNL-AODWJNRKSA-N
MW322.41 g/mol
LogP1.35
Rot. Bonds3

About (2R,3R)-1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid

(2R,3R)-1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid (PubChem CID 122115367) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is (2R,3R)-1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
PubChem CID122115367
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name(2R,3R)-1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
SMILESC[C@@H]1[C@H](C(=O)O)CCCN1C(=O)C1CCCN(C(=O)C2CC2)C1
InChIInChI=1S/C17H26N2O4/c1-11-14(17(22)23)5-3-9-19(11)16(21)13-4-2-8-18(10-13)15(20)12-6-7-12/h11-14H,2-10H2,1H3,(H,22,23)/t11-,13?,14-/m1/s1
InChIKeyZYFKSBCVIMGDNL-AODWJNRKSA-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

1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122083640
(2R,3R)-1-[1-[(2-fluorophenyl)carbamoyl]piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115369
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
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
cyclopropyl-[3-(2-methylpiperazine-1-carbonyl)piperidin-1-yl]methanone
CID 119472927
1-(2-methylcyclopentanecarbonyl)piperidine-3-carboxylic acid
CID 107175062
cyclopropyl-[3-(3-hydroxypiperidine-1-carbonyl)piperidin-1-yl]methanone
CID 43502686
1-(1-acetylpiperidine-4-carbonyl)piperidine-3-carboxylic acid
CID 43170987
(2S)-1-(1-acetylpiperidine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61137336
1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119136251
(3R)-1-[(1R,2S)-2-(pyrrolidine-1-carbonyl)cyclohexanecarbonyl]piperidine-3-carboxylic acid
CID 100629246

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid (CID 122115367) is (2R,3R)-1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid is C[C@@H]1[C@H](C(=O)O)CCCN1C(=O)C1CCCN(C(=O)C2CC2)C1.
What is the InChIKey of (2R,3R)-1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid?
The InChIKey is ZYFKSBCVIMGDNL-AODWJNRKSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-11-14(17(22)23)5-3-9-19(11)16(21)13-4-2-8-18(10-13)15(20)12-6-7-12/h11-14H,2-10H2,1H3,(H,22,23)/t11-,13?,14-/m1/s1.
What are the key properties of (2R,3R)-1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid?
(2R,3R)-1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-2-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 (2R,3R)-1-[1-(cyclopropanecarbonyl)piperidine-3-carbonyl]-2-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122115367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).