2-(2,3-dihydro-1H-inden-5-yl)-1-(4-imidazol-1-ylpiperidin-1-yl)ethanone

C19H23N3O — CID 51107647

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-1-(4-imidazol-1-ylpiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCC2)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C19H23N3O/c23-19(13-15-4-5-16-2-1-3-17(16)12-15)21-9-6-18(7-10-21)22-11-8-20-14-22/h4-5,8,11-12,14,18H,1-3,6-7,9-10,13H2
InChIKeyUFJCBNSRIAMXQQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.78
Rot. Bonds3

About 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-imidazol-1-ylpiperidin-1-yl)ethanone

2-(2,3-dihydro-1H-inden-5-yl)-1-(4-imidazol-1-ylpiperidin-1-yl)ethanone (PubChem CID 51107647) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-imidazol-1-ylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-1-(4-imidazol-1-ylpiperidin-1-yl)ethanone
PubChem CID51107647
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-1-(4-imidazol-1-ylpiperidin-1-yl)ethanone
SMILESO=C(Cc1ccc2c(c1)CCC2)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C19H23N3O/c23-19(13-15-4-5-16-2-1-3-17(16)12-15)21-9-6-18(7-10-21)22-11-8-20-14-22/h4-5,8,11-12,14,18H,1-3,6-7,9-10,13H2
InChIKeyUFJCBNSRIAMXQQ-UHFFFAOYSA-N
XLogP2.78
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]piperidin-4-yl]acetic acid
CID 119178784
2-(3,4-dichlorophenyl)-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95313849
1-piperazin-1-yl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 82132544
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 110806562
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-methylpiperidin-1-yl)ethanone
CID 110767307
2-(2,3-dihydro-1H-inden-5-yl)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 115775126
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 119664009
(3S,4S)-1-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-3-methylpiperidine-4-carboxylic acid
CID 138032534
2-(2,3-dihydro-1H-inden-5-yl)-1-(3-pyrazin-2-ylpiperidin-1-yl)ethanone
CID 175652303
1-[4-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110801525
1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 115746612
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-morpholin-4-ylethanone
CID 58277805

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-imidazol-1-ylpiperidin-1-yl)ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-imidazol-1-ylpiperidin-1-yl)ethanone (CID 51107647) is 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-imidazol-1-ylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-imidazol-1-ylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-imidazol-1-ylpiperidin-1-yl)ethanone is O=C(Cc1ccc2c(c1)CCC2)N1CCC(n2ccnc2)CC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-imidazol-1-ylpiperidin-1-yl)ethanone?
The InChIKey is UFJCBNSRIAMXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c23-19(13-15-4-5-16-2-1-3-17(16)12-15)21-9-6-18(7-10-21)22-11-8-20-14-22/h4-5,8,11-12,14,18H,1-3,6-7,9-10,13H2.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-imidazol-1-ylpiperidin-1-yl)ethanone?
2-(2,3-dihydro-1H-inden-5-yl)-1-(4-imidazol-1-ylpiperidin-1-yl)ethanone has a molecular weight of 309.41 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-1-(4-imidazol-1-ylpiperidin-1-yl)ethanone is sourced from PubChem (CID 51107647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).