(2R,5S)-5-[1-(1H-indole-4-carbonyl)piperidin-4-yl]oxolane-2-carboxylic acid

C19H22N2O4 — CID 154788336

IUPAC(2R,5S)-5-[1-(1H-indole-4-carbonyl)piperidin-4-yl]oxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cccc4[nH]ccc34)CC2)O1
InChIInChI=1S/C19H22N2O4/c22-18(14-2-1-3-15-13(14)6-9-20-15)21-10-7-12(8-11-21)16-4-5-17(25-16)19(23)24/h1-3,6,9,12,16-17,20H,4-5,7-8,10-11H2,(H,23,24)/t16-,17+/m0/s1
InChIKeyNNDVMWRBVFUUQQ-DLBZAZTESA-N
MW342.39 g/mol
LogP2.65
Rot. Bonds3

About (2R,5S)-5-[1-(1H-indole-4-carbonyl)piperidin-4-yl]oxolane-2-carboxylic acid

(2R,5S)-5-[1-(1H-indole-4-carbonyl)piperidin-4-yl]oxolane-2-carboxylic acid (PubChem CID 154788336) has the molecular formula C19H22N2O4 and a molecular weight of 342.39 g/mol. Its IUPAC name is (2R,5S)-5-[1-(1H-indole-4-carbonyl)piperidin-4-yl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[1-(1H-indole-4-carbonyl)piperidin-4-yl]oxolane-2-carboxylic acid
PubChem CID154788336
Molecular FormulaC19H22N2O4
Molecular Weight342.39 g/mol
Exact Mass342.16
IUPAC Name(2R,5S)-5-[1-(1H-indole-4-carbonyl)piperidin-4-yl]oxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cccc4[nH]ccc34)CC2)O1
InChIInChI=1S/C19H22N2O4/c22-18(14-2-1-3-15-13(14)6-9-20-15)21-10-7-12(8-11-21)16-4-5-17(25-16)19(23)24/h1-3,6,9,12,16-17,20H,4-5,7-8,10-11H2,(H,23,24)/t16-,17+/m0/s1
InChIKeyNNDVMWRBVFUUQQ-DLBZAZTESA-N
XLogP2.65
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl(1H-indol-4-yl)methanone
CID 43582350
(4-benzylpiperidin-1-yl)-(1H-indol-4-yl)methanone
CID 112828614
[4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone
CID 80550607
[3-(1-aminoethyl)pyrrolidin-1-yl]-(1H-indol-4-yl)methanone
CID 103975888
(3-aminoazetidin-1-yl)-(1H-indol-4-yl)methanone
CID 65245171
1H-indol-4-yl-[4-(2-phenylmethoxyethoxy)piperidin-1-yl]methanone
CID 91918381
1H-indol-4-yl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887160
1H-indol-4-yl-(2-methylpiperidin-1-yl)methanone
CID 43582305
1H-indol-4-yl-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968875
1H-indol-4-yl-(3-pyrazol-1-ylpyrrolidin-1-yl)methanone
CID 126946391
2-[4-(1H-indole-4-carbonyl)morpholin-2-yl]acetic acid
CID 66434575
4-(1H-indole-4-carbonyl)-1,4-diazepan-2-one
CID 65360904

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[1-(1H-indole-4-carbonyl)piperidin-4-yl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[1-(1H-indole-4-carbonyl)piperidin-4-yl]oxolane-2-carboxylic acid (CID 154788336) is (2R,5S)-5-[1-(1H-indole-4-carbonyl)piperidin-4-yl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[1-(1H-indole-4-carbonyl)piperidin-4-yl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[1-(1H-indole-4-carbonyl)piperidin-4-yl]oxolane-2-carboxylic acid is O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)c3cccc4[nH]ccc34)CC2)O1.
What is the InChIKey of (2R,5S)-5-[1-(1H-indole-4-carbonyl)piperidin-4-yl]oxolane-2-carboxylic acid?
The InChIKey is NNDVMWRBVFUUQQ-DLBZAZTESA-N. The full InChI is InChI=1S/C19H22N2O4/c22-18(14-2-1-3-15-13(14)6-9-20-15)21-10-7-12(8-11-21)16-4-5-17(25-16)19(23)24/h1-3,6,9,12,16-17,20H,4-5,7-8,10-11H2,(H,23,24)/t16-,17+/m0/s1.
What are the key properties of (2R,5S)-5-[1-(1H-indole-4-carbonyl)piperidin-4-yl]oxolane-2-carboxylic acid?
(2R,5S)-5-[1-(1H-indole-4-carbonyl)piperidin-4-yl]oxolane-2-carboxylic acid has a molecular weight of 342.39 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[1-(1H-indole-4-carbonyl)piperidin-4-yl]oxolane-2-carboxylic acid is sourced from PubChem (CID 154788336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).