2-(2-methylpiperidine-1-carbonyl)-1-propan-2-ylcyclopropane-1-carboxylic acid

C14H23NO3 — CID 165477407

IUPAC2-(2-methylpiperidine-1-carbonyl)-1-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCC1CCCCN1C(=O)C1CC1(C(=O)O)C(C)C
InChIInChI=1S/C14H23NO3/c1-9(2)14(13(17)18)8-11(14)12(16)15-7-5-4-6-10(15)3/h9-11H,4-8H2,1-3H3,(H,17,18)
InChIKeyGWPDBHSVRAESGC-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.13
Rot. Bonds3

About 2-(2-methylpiperidine-1-carbonyl)-1-propan-2-ylcyclopropane-1-carboxylic acid

2-(2-methylpiperidine-1-carbonyl)-1-propan-2-ylcyclopropane-1-carboxylic acid (PubChem CID 165477407) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-(2-methylpiperidine-1-carbonyl)-1-propan-2-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(2-methylpiperidine-1-carbonyl)-1-propan-2-ylcyclopropane-1-carboxylic acid
PubChem CID165477407
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-(2-methylpiperidine-1-carbonyl)-1-propan-2-ylcyclopropane-1-carboxylic acid
SMILESCC1CCCCN1C(=O)C1CC1(C(=O)O)C(C)C
InChIInChI=1S/C14H23NO3/c1-9(2)14(13(17)18)8-11(14)12(16)15-7-5-4-6-10(15)3/h9-11H,4-8H2,1-3H3,(H,17,18)
InChIKeyGWPDBHSVRAESGC-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dichloro-1-(2-methylpiperidin-1-yl)ethanone
CID 3528857
2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one
CID 86060636
2-(2-methylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120974339
(2S)-2-methylpiperidine-1-carbonyl chloride
CID 45081356
trans-(1R,3R)-2,2-dimethyl-3-[(2S)-2-methylpiperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 98167469
(4R)-4-[(2R)-2-methylpiperidine-1-carbonyl]-1-propan-2-ylpyrrolidin-2-one
CID 9400779
(2S)-2,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 142133713
(2-aminocyclohexyl)-(2-methylpiperidin-1-yl)methanone
CID 62775944
ethane;1-(2-methylazepan-1-yl)ethanone
CID 143677776
1-(2-methylpiperidin-1-yl)-2-piperazin-1-ylpropan-1-one
CID 43130572
1-adamantyl-(2-methylpiperidin-1-yl)methanone
CID 2896597
[(1S)-cyclohex-3-en-1-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 40579125

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpiperidine-1-carbonyl)-1-propan-2-ylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-(2-methylpiperidine-1-carbonyl)-1-propan-2-ylcyclopropane-1-carboxylic acid (CID 165477407) is 2-(2-methylpiperidine-1-carbonyl)-1-propan-2-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(2-methylpiperidine-1-carbonyl)-1-propan-2-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(2-methylpiperidine-1-carbonyl)-1-propan-2-ylcyclopropane-1-carboxylic acid is CC1CCCCN1C(=O)C1CC1(C(=O)O)C(C)C.
What is the InChIKey of 2-(2-methylpiperidine-1-carbonyl)-1-propan-2-ylcyclopropane-1-carboxylic acid?
The InChIKey is GWPDBHSVRAESGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9(2)14(13(17)18)8-11(14)12(16)15-7-5-4-6-10(15)3/h9-11H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 2-(2-methylpiperidine-1-carbonyl)-1-propan-2-ylcyclopropane-1-carboxylic acid?
2-(2-methylpiperidine-1-carbonyl)-1-propan-2-ylcyclopropane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpiperidine-1-carbonyl)-1-propan-2-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 165477407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).