2-phenyl-1-[5-[(1S,2R)-2-(piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]ethanone

C25H31N3O — CID 138734679

IUPAC2-phenyl-1-[5-[(1S,2R)-2-(piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCc2cc([C@@H]3C[C@H]3NCC3CCNCC3)ccc21
InChIInChI=1S/C25H31N3O/c29-25(14-18-4-2-1-3-5-18)28-13-10-21-15-20(6-7-24(21)28)22-16-23(22)27-17-19-8-11-26-12-9-19/h1-7,15,19,22-23,26-27H,8-14,16-17H2/t22-,23+/m0/s1
InChIKeyWHSMMBZAXHBZQH-XZOQPEGZSA-N
MW389.54 g/mol
LogP3.26
Rot. Bonds6

About 2-phenyl-1-[5-[(1S,2R)-2-(piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]ethanone

2-phenyl-1-[5-[(1S,2R)-2-(piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 138734679) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is 2-phenyl-1-[5-[(1S,2R)-2-(piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name2-phenyl-1-[5-[(1S,2R)-2-(piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID138734679
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Name2-phenyl-1-[5-[(1S,2R)-2-(piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]ethanone
SMILESO=C(Cc1ccccc1)N1CCc2cc([C@@H]3C[C@H]3NCC3CCNCC3)ccc21
InChIInChI=1S/C25H31N3O/c29-25(14-18-4-2-1-3-5-18)28-13-10-21-15-20(6-7-24(21)28)22-16-23(22)27-17-19-8-11-26-12-9-19/h1-7,15,19,22-23,26-27H,8-14,16-17H2/t22-,23+/m0/s1
InChIKeyWHSMMBZAXHBZQH-XZOQPEGZSA-N
XLogP3.26
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-phenyl-1-[5-[(1S,2R)-2-(piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-phenylmethoxyphenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 78097199
1-[4-[[(2-phenylcyclopropyl)amino]methyl]piperidin-1-yl]ethanone
CID 77144981
benzyl 4-[[[(1R,2S)-2-(2,3-dihydro-1-benzofuran-5-yl)cyclopropyl]amino]methyl]-2-fluoropiperidine-1-carboxylate
CID 175748336
1-[5-[(3,5-dichlorophenyl)sulfanylamino]-2,3-dihydroindol-1-yl]-2-phenylethanone
CID 89244567
2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 147385528
1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 82260237
N-benzyl-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-sulfonamide
CID 6621773
benzyl 4-[[[2-[1-(benzenesulfonyl)-2,3-dihydroindol-5-yl]cyclopropyl]amino]methyl]-4-fluoropiperidine-1-carboxylate
CID 130453631
benzyl 2-fluoro-4-[[[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 175748356
2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(3-phenyl-1,2-oxazol-5-yl)ethanone
CID 159581061
2-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-(1H-indol-3-yl)ethanone
CID 160904336
N-(1-benzylpyrrolidin-3-yl)-3-[2-(cyclopropylmethylamino)cyclopropyl]benzamide
CID 118304729

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[5-[(1S,2R)-2-(piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 2-phenyl-1-[5-[(1S,2R)-2-(piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]ethanone (CID 138734679) is 2-phenyl-1-[5-[(1S,2R)-2-(piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 2-phenyl-1-[5-[(1S,2R)-2-(piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 2-phenyl-1-[5-[(1S,2R)-2-(piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]ethanone is O=C(Cc1ccccc1)N1CCc2cc([C@@H]3C[C@H]3NCC3CCNCC3)ccc21.
What is the InChIKey of 2-phenyl-1-[5-[(1S,2R)-2-(piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is WHSMMBZAXHBZQH-XZOQPEGZSA-N. The full InChI is InChI=1S/C25H31N3O/c29-25(14-18-4-2-1-3-5-18)28-13-10-21-15-20(6-7-24(21)28)22-16-23(22)27-17-19-8-11-26-12-9-19/h1-7,15,19,22-23,26-27H,8-14,16-17H2/t22-,23+/m0/s1.
What are the key properties of 2-phenyl-1-[5-[(1S,2R)-2-(piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]ethanone?
2-phenyl-1-[5-[(1S,2R)-2-(piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 389.54 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[5-[(1S,2R)-2-(piperidin-4-ylmethylamino)cyclopropyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 138734679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).