1-[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid

C19H25NO3 — CID 119167741

IUPAC1-[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
SMILESCC(C)c1ccc(C2CC2C(=O)N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C19H25NO3/c1-12(2)13-5-7-14(8-6-13)16-10-17(16)18(21)20-9-3-4-15(11-20)19(22)23/h5-8,12,15-17H,3-4,9-11H2,1-2H3,(H,22,23)
InChIKeyYFMOBTRRAFFJSU-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.24
Rot. Bonds4

About 1-[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid

1-[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid (PubChem CID 119167741) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 1-[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
PubChem CID119167741
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name1-[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
SMILESCC(C)c1ccc(C2CC2C(=O)N2CCCC(C(=O)O)C2)cc1
InChIInChI=1S/C19H25NO3/c1-12(2)13-5-7-14(8-6-13)16-10-17(16)18(21)20-9-3-4-15(11-20)19(22)23/h5-8,12,15-17H,3-4,9-11H2,1-2H3,(H,22,23)
InChIKeyYFMOBTRRAFFJSU-UHFFFAOYSA-N
XLogP3.24
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-[(1R,2R)-2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 124682756
(3R)-1-[(1R,2S)-2-(4-fluorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 125132949
(3R)-1-[(1R,2S)-2-(4-bromophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 125147595
(3R)-1-[(1S,2S)-2-(3-bromophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 125148642
1-[2-(2-methylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 84588684
1-[3-(4-propan-2-ylphenyl)butanoyl]piperidine-3-carboxylic acid
CID 119167632
1-[2-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 119167948
(3S)-1-[2-(4-propan-2-ylphenyl)sulfanylacetyl]piperidine-3-carboxylic acid
CID 119173833
(3R)-1-[(1S,2S)-2-(3,5-dichlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylic acid
CID 125134395
(3R)-1-[(1S,2S)-2-(3,4-dichlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide
CID 98760990
(3-hydroxypiperidin-1-yl)-(2-phenylcyclopropyl)methanone
CID 78971302
[(3R)-3-aminopiperidin-1-yl]-(2-phenylcyclopropyl)methanone
CID 102978507

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid (CID 119167741) is 1-[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid is CC(C)c1ccc(C2CC2C(=O)N2CCCC(C(=O)O)C2)cc1.
What is the InChIKey of 1-[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid?
The InChIKey is YFMOBTRRAFFJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-12(2)13-5-7-14(8-6-13)16-10-17(16)18(21)20-9-3-4-15(11-20)19(22)23/h5-8,12,15-17H,3-4,9-11H2,1-2H3,(H,22,23).
What are the key properties of 1-[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid?
1-[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid has a molecular weight of 315.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-propan-2-ylphenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119167741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).