(2R,5S)-5-[1-[2-(2,3-dihydro-1H-indol-6-yl)acetyl]piperidin-4-yl]oxolane-2-carboxylic acid

C20H26N2O4 — CID 154768065

IUPAC(2R,5S)-5-[1-[2-(2,3-dihydro-1H-indol-6-yl)acetyl]piperidin-4-yl]oxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)Cc3ccc4c(c3)NCC4)CC2)O1
InChIInChI=1S/C20H26N2O4/c23-19(12-13-1-2-14-5-8-21-16(14)11-13)22-9-6-15(7-10-22)17-3-4-18(26-17)20(24)25/h1-2,11,15,17-18,21H,3-10,12H2,(H,24,25)/t17-,18+/m0/s1
InChIKeyGQCDUYWAYFZJBL-ZWKOTPCHSA-N
MW358.44 g/mol
LogP2.07
Rot. Bonds4

About (2R,5S)-5-[1-[2-(2,3-dihydro-1H-indol-6-yl)acetyl]piperidin-4-yl]oxolane-2-carboxylic acid

(2R,5S)-5-[1-[2-(2,3-dihydro-1H-indol-6-yl)acetyl]piperidin-4-yl]oxolane-2-carboxylic acid (PubChem CID 154768065) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is (2R,5S)-5-[1-[2-(2,3-dihydro-1H-indol-6-yl)acetyl]piperidin-4-yl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[1-[2-(2,3-dihydro-1H-indol-6-yl)acetyl]piperidin-4-yl]oxolane-2-carboxylic acid
PubChem CID154768065
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name(2R,5S)-5-[1-[2-(2,3-dihydro-1H-indol-6-yl)acetyl]piperidin-4-yl]oxolane-2-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)Cc3ccc4c(c3)NCC4)CC2)O1
InChIInChI=1S/C20H26N2O4/c23-19(12-13-1-2-14-5-8-21-16(14)11-13)22-9-6-15(7-10-22)17-3-4-18(26-17)20(24)25/h1-2,11,15,17-18,21H,3-10,12H2,(H,24,25)/t17-,18+/m0/s1
InChIKeyGQCDUYWAYFZJBL-ZWKOTPCHSA-N
XLogP2.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-indol-6-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 115105325
(2R,5S)-5-[1-(3-pyrazol-1-ylpropanoyl)piperidin-4-yl]oxolane-2-carboxylic acid
CID 154788478
1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-yl)ethanone
CID 115104826
(2R,5S)-5-[1-(2-indazol-1-ylacetyl)piperidin-4-yl]oxolane-2-carboxylic acid
CID 154789058
1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82132544
2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178784
(3S,4S)-1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-methylpiperidine-4-carboxylic acid
CID 138032534
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110806562
6-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175564
2-(2,3-dihydro-1H-isoindol-5-yl)-1-piperazin-1-ylethanone
CID 115104675
1-(4-piperidin-4-ylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 155504559
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 38496850

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[1-[2-(2,3-dihydro-1H-indol-6-yl)acetyl]piperidin-4-yl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[1-[2-(2,3-dihydro-1H-indol-6-yl)acetyl]piperidin-4-yl]oxolane-2-carboxylic acid (CID 154768065) is (2R,5S)-5-[1-[2-(2,3-dihydro-1H-indol-6-yl)acetyl]piperidin-4-yl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[1-[2-(2,3-dihydro-1H-indol-6-yl)acetyl]piperidin-4-yl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[1-[2-(2,3-dihydro-1H-indol-6-yl)acetyl]piperidin-4-yl]oxolane-2-carboxylic acid is O=C(O)[C@H]1CC[C@@H](C2CCN(C(=O)Cc3ccc4c(c3)NCC4)CC2)O1.
What is the InChIKey of (2R,5S)-5-[1-[2-(2,3-dihydro-1H-indol-6-yl)acetyl]piperidin-4-yl]oxolane-2-carboxylic acid?
The InChIKey is GQCDUYWAYFZJBL-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H26N2O4/c23-19(12-13-1-2-14-5-8-21-16(14)11-13)22-9-6-15(7-10-22)17-3-4-18(26-17)20(24)25/h1-2,11,15,17-18,21H,3-10,12H2,(H,24,25)/t17-,18+/m0/s1.
What are the key properties of (2R,5S)-5-[1-[2-(2,3-dihydro-1H-indol-6-yl)acetyl]piperidin-4-yl]oxolane-2-carboxylic acid?
(2R,5S)-5-[1-[2-(2,3-dihydro-1H-indol-6-yl)acetyl]piperidin-4-yl]oxolane-2-carboxylic acid has a molecular weight of 358.44 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[1-[2-(2,3-dihydro-1H-indol-6-yl)acetyl]piperidin-4-yl]oxolane-2-carboxylic acid is sourced from PubChem (CID 154768065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).