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

C15H19NO3 — CID 66523324

IUPAC4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid
SMILESO=C(O)C1(Oc2ccc3c(c2)CCC3)CCNCC1
InChIInChI=1S/C15H19NO3/c17-14(18)15(6-8-16-9-7-15)19-13-5-4-11-2-1-3-12(11)10-13/h4-5,10,16H,1-3,6-9H2,(H,17,18)
InChIKeyVXVCSOIWYDNKNA-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.76
Rot. Bonds3

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

4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid (PubChem CID 66523324) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid
PubChem CID66523324
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid
SMILESO=C(O)C1(Oc2ccc3c(c2)CCC3)CCNCC1
InChIInChI=1S/C15H19NO3/c17-14(18)15(6-8-16-9-7-15)19-13-5-4-11-2-1-3-12(11)10-13/h4-5,10,16H,1-3,6-9H2,(H,17,18)
InChIKeyVXVCSOIWYDNKNA-UHFFFAOYSA-N
XLogP1.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1H-inden-5-yloxy)-1-(2-hydroxyacetyl)piperidine-4-carboxylic acid
CID 56908037
1-(cyclopropanecarbonyl)-4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid
CID 56919118
4-(2,3-dihydro-1H-inden-5-yloxy)-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 70758455
4-(2,3-dihydro-1H-inden-5-yloxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid
CID 70748832
4-(2,3-dihydro-1H-inden-5-yloxy)-1-(thiophen-3-ylmethyl)piperidine-4-carboxylic acid
CID 70736479
4-(2,3-dihydro-1H-inden-5-yloxy)-1-[(1,5-dimethylpyrazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 70775931
N-(2,3-dihydro-1H-inden-5-yl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616974
2-(2,3-dihydro-1H-inden-5-yloxy)-2-methyl-1-piperazin-1-ylpropan-1-one
CID 39286821
5,6,7,8-tetrahydronaphthalen-2-yl hydrogen sulfate
CID 131851340
2,3-dihydro-1H-inden-5-yl N-propan-2-ylcarbamate
CID 127549123
2,3-dibromo-3-(2,3-dihydro-1H-inden-5-yloxy)propan-1-ol
CID 119094647
3-(2,3-dihydro-1H-inden-5-yloxy)-1-(methylamino)cyclopentane-1-carboxylic acid
CID 79649371

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid (CID 66523324) is 4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid is O=C(O)C1(Oc2ccc3c(c2)CCC3)CCNCC1.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid?
The InChIKey is VXVCSOIWYDNKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c17-14(18)15(6-8-16-9-7-15)19-13-5-4-11-2-1-3-12(11)10-13/h4-5,10,16H,1-3,6-9H2,(H,17,18).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid?
4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid has a molecular weight of 261.32 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-5-yloxy)piperidine-4-carboxylic acid is sourced from PubChem (CID 66523324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).