1-(cyclopropanecarbonyl)-4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid

C19H23NO4 — CID 56919118

IUPAC1-(cyclopropanecarbonyl)-4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid
SMILESO=C(C1CC1)N1CCC(Oc2ccc3c(c2)CCC3)(C(=O)O)CC1
InChIInChI=1S/C19H23NO4/c21-17(14-4-5-14)20-10-8-19(9-11-20,18(22)23)24-16-7-6-13-2-1-3-15(13)12-16/h6-7,12,14H,1-5,8-11H2,(H,22,23)
InChIKeyMOQYRWBRPXPTJF-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.41
Rot. Bonds4

About 1-(cyclopropanecarbonyl)-4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid

1-(cyclopropanecarbonyl)-4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid (PubChem CID 56919118) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(cyclopropanecarbonyl)-4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(cyclopropanecarbonyl)-4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid
PubChem CID56919118
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Name1-(cyclopropanecarbonyl)-4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid
SMILESO=C(C1CC1)N1CCC(Oc2ccc3c(c2)CCC3)(C(=O)O)CC1
InChIInChI=1S/C19H23NO4/c21-17(14-4-5-14)20-10-8-19(9-11-20,18(22)23)24-16-7-6-13-2-1-3-15(13)12-16/h6-7,12,14H,1-5,8-11H2,(H,22,23)
InChIKeyMOQYRWBRPXPTJF-UHFFFAOYSA-N
XLogP2.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropanecarbonyl)-4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid?
The IUPAC name of 1-(cyclopropanecarbonyl)-4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid (CID 56919118) is 1-(cyclopropanecarbonyl)-4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(cyclopropanecarbonyl)-4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(cyclopropanecarbonyl)-4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid is O=C(C1CC1)N1CCC(Oc2ccc3c(c2)CCC3)(C(=O)O)CC1.
What is the InChIKey of 1-(cyclopropanecarbonyl)-4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid?
The InChIKey is MOQYRWBRPXPTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c21-17(14-4-5-14)20-10-8-19(9-11-20,18(22)23)24-16-7-6-13-2-1-3-15(13)12-16/h6-7,12,14H,1-5,8-11H2,(H,22,23).
What are the key properties of 1-(cyclopropanecarbonyl)-4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid?
1-(cyclopropanecarbonyl)-4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid has a molecular weight of 329.40 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropanecarbonyl)-4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid is sourced from PubChem (CID 56919118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).