(1-benzyl-4-methylpiperidin-4-yl)-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone

C21H25N3O — CID 86803204

IUPAC(1-benzyl-4-methylpiperidin-4-yl)-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone
SMILESCC1(C(=O)N2CCc3cnccc32)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25N3O/c1-21(20(25)24-12-8-18-15-22-11-7-19(18)24)9-13-23(14-10-21)16-17-5-3-2-4-6-17/h2-7,11,15H,8-10,12-14,16H2,1H3
InChIKeyAVORXCYDYXILAG-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.27
Rot. Bonds3

About (1-benzyl-4-methylpiperidin-4-yl)-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone

(1-benzyl-4-methylpiperidin-4-yl)-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone (PubChem CID 86803204) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is (1-benzyl-4-methylpiperidin-4-yl)-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone.

Molecular Properties

Compound Name(1-benzyl-4-methylpiperidin-4-yl)-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone
PubChem CID86803204
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name(1-benzyl-4-methylpiperidin-4-yl)-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone
SMILESCC1(C(=O)N2CCc3cnccc32)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H25N3O/c1-21(20(25)24-12-8-18-15-22-11-7-19(18)24)9-13-23(14-10-21)16-17-5-3-2-4-6-17/h2-7,11,15H,8-10,12-14,16H2,1H3
InChIKeyAVORXCYDYXILAG-UHFFFAOYSA-N
XLogP3.27
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-methylpiperidin-4-ol
CID 10845913
(1-benzyl-4-methylpiperidin-4-yl)-[(3R)-3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-3-hydroxypyrrolidin-1-yl]methanone
CID 124949773
1-benzyl-4-(pyridin-3-ylmethylamino)piperidine-4-carboxylic acid
CID 71564992
1-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)-3-hydroxypropan-1-one
CID 142479905
N-[[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]methyl]-2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxamide
CID 100709801
(1-benzyl-4-methylpiperidin-4-yl)-[(3S,4S)-3-hydroxy-4-methylpiperidin-1-yl]methanone
CID 99718329
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109285489
tert-butyl 2,3-dihydropyrrolo[3,2-c]pyridine-1-carboxylate
CID 11020412
(1-benzyl-4-methylpiperidin-4-yl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone
CID 136530287
1-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
CID 108976826
1-benzyl-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-4-methylpiperidine-4-carboxamide
CID 126801639
4-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid
CID 63125005

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-4-methylpiperidin-4-yl)-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone?
The IUPAC name of (1-benzyl-4-methylpiperidin-4-yl)-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone (CID 86803204) is (1-benzyl-4-methylpiperidin-4-yl)-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone.
What is the SMILES notation for (1-benzyl-4-methylpiperidin-4-yl)-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone?
The canonical SMILES for (1-benzyl-4-methylpiperidin-4-yl)-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone is CC1(C(=O)N2CCc3cnccc32)CCN(Cc2ccccc2)CC1.
What is the InChIKey of (1-benzyl-4-methylpiperidin-4-yl)-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone?
The InChIKey is AVORXCYDYXILAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-21(20(25)24-12-8-18-15-22-11-7-19(18)24)9-13-23(14-10-21)16-17-5-3-2-4-6-17/h2-7,11,15H,8-10,12-14,16H2,1H3.
What are the key properties of (1-benzyl-4-methylpiperidin-4-yl)-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone?
(1-benzyl-4-methylpiperidin-4-yl)-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone has a molecular weight of 335.45 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-4-methylpiperidin-4-yl)-(2,3-dihydropyrrolo[3,2-c]pyridin-1-yl)methanone is sourced from PubChem (CID 86803204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).