N-[1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]benzamide

C23H27N3O2 — CID 18131575

IUPACN-[1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]benzamide
SMILESCC(C(=O)N1CCc2ccccc21)N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C23H27N3O2/c1-17(23(28)26-16-11-18-7-5-6-10-21(18)26)25-14-12-20(13-15-25)24-22(27)19-8-3-2-4-9-19/h2-10,17,20H,11-16H2,1H3,(H,24,27)
InChIKeyRTYPKFJHFBWIHJ-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.86
Rot. Bonds4

About N-[1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]benzamide

N-[1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]benzamide (PubChem CID 18131575) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]benzamide
PubChem CID18131575
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]benzamide
SMILESCC(C(=O)N1CCc2ccccc21)N1CCC(NC(=O)c2ccccc2)CC1
InChIInChI=1S/C23H27N3O2/c1-17(23(28)26-16-11-18-7-5-6-10-21(18)26)25-14-12-20(13-15-25)24-22(27)19-8-3-2-4-9-19/h2-10,17,20H,11-16H2,1H3,(H,24,27)
InChIKeyRTYPKFJHFBWIHJ-UHFFFAOYSA-N
XLogP2.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylic acid;hydrochloride
CID 119906465
1-(2,3-dihydroindol-1-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 42911822
2-(azepan-1-yl)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 134062617
N-[1-[1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 51289715
1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4818334
N-[1-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl]piperidin-4-yl]benzamide
CID 33103822
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxypiperidin-1-yl)propan-1-one
CID 78786405
ethyl 1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 78786194
(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-ethylpiperazin-1-yl)propan-1-one
CID 1439229
1-(2,3-dihydroindol-1-yl)-2-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]propan-1-one
CID 86773557
(2S)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-methylphenyl)piperazin-1-yl]propan-1-one
CID 8725314
(2S)-2-(4-benzoylpiperazin-1-yl)-1-(3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 7994047

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]benzamide (CID 18131575) is N-[1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]benzamide is CC(C(=O)N1CCc2ccccc21)N1CCC(NC(=O)c2ccccc2)CC1.
What is the InChIKey of N-[1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]benzamide?
The InChIKey is RTYPKFJHFBWIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17(23(28)26-16-11-18-7-5-6-10-21(18)26)25-14-12-20(13-15-25)24-22(27)19-8-3-2-4-9-19/h2-10,17,20H,11-16H2,1H3,(H,24,27).
What are the key properties of N-[1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]benzamide?
N-[1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]benzamide has a molecular weight of 377.49 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]benzamide is sourced from PubChem (CID 18131575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).