(2R)-1-(2,3-dihydroindol-1-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one

C19H25N5O — CID 95320910

IUPAC(2R)-1-(2,3-dihydroindol-1-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
SMILESC[C@H](C(=O)N1CCc2ccccc21)N1CCC[C@H](Cn2cncn2)C1
InChIInChI=1S/C19H25N5O/c1-15(19(25)24-10-8-17-6-2-3-7-18(17)24)22-9-4-5-16(11-22)12-23-14-20-13-21-23/h2-3,6-7,13-16H,4-5,8-12H2,1H3/t15-,16+/m1/s1
InChIKeyPLRBHWLKJYPYBG-CVEARBPZSA-N
MW339.44 g/mol
LogP1.97
Rot. Bonds4

About (2R)-1-(2,3-dihydroindol-1-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one

(2R)-1-(2,3-dihydroindol-1-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one (PubChem CID 95320910) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (2R)-1-(2,3-dihydroindol-1-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(2,3-dihydroindol-1-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
PubChem CID95320910
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(2R)-1-(2,3-dihydroindol-1-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
SMILESC[C@H](C(=O)N1CCc2ccccc21)N1CCC[C@H](Cn2cncn2)C1
InChIInChI=1S/C19H25N5O/c1-15(19(25)24-10-8-17-6-2-3-7-18(17)24)22-9-4-5-16(11-22)12-23-14-20-13-21-23/h2-3,6-7,13-16H,4-5,8-12H2,1H3/t15-,16+/m1/s1
InChIKeyPLRBHWLKJYPYBG-CVEARBPZSA-N
XLogP1.97
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(2,3-dihydroindol-1-yl)-2-[(3S)-3-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 100838637
(2R)-N-(2-phenylethyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95342886
(2S)-N-pyrimidin-2-yl-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95314174
(2S)-1-morpholin-4-yl-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 100841194
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
1-(2,3-dihydroindol-1-yl)-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95337427
2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 134062617
(2R)-N-[[(2R)-oxolan-2-yl]methyl]-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 95350961
3-amino-2-methyl-3-phenyl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one
CID 119883750
2-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 75386892
ethyl 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 78786194
2-amino-2-phenyl-1-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]ethanone;hydrochloride
CID 122148329

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3-dihydroindol-1-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-1-(2,3-dihydroindol-1-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one (CID 95320910) is (2R)-1-(2,3-dihydroindol-1-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-1-(2,3-dihydroindol-1-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-1-(2,3-dihydroindol-1-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one is C[C@H](C(=O)N1CCc2ccccc21)N1CCC[C@H](Cn2cncn2)C1.
What is the InChIKey of (2R)-1-(2,3-dihydroindol-1-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
The InChIKey is PLRBHWLKJYPYBG-CVEARBPZSA-N. The full InChI is InChI=1S/C19H25N5O/c1-15(19(25)24-10-8-17-6-2-3-7-18(17)24)22-9-4-5-16(11-22)12-23-14-20-13-21-23/h2-3,6-7,13-16H,4-5,8-12H2,1H3/t15-,16+/m1/s1.
What are the key properties of (2R)-1-(2,3-dihydroindol-1-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one?
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one has a molecular weight of 339.44 g/mol, XLogP of 1.97, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,3-dihydroindol-1-yl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 95320910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).