2,3-dihydro-1H-inden-4-yl-(3,5-dimethylpiperazin-1-yl)methanone

C16H22N2O — CID 119564206

IUPAC2,3-dihydro-1H-inden-4-yl-(3,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccc3c2CCC3)CC(C)N1
InChIInChI=1S/C16H22N2O/c1-11-9-18(10-12(2)17-11)16(19)15-8-4-6-13-5-3-7-14(13)15/h4,6,8,11-12,17H,3,5,7,9-10H2,1-2H3
InChIKeyPWTOYNSGCIRSSD-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.00
Rot. Bonds1

About 2,3-dihydro-1H-inden-4-yl-(3,5-dimethylpiperazin-1-yl)methanone

2,3-dihydro-1H-inden-4-yl-(3,5-dimethylpiperazin-1-yl)methanone (PubChem CID 119564206) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-4-yl-(3,5-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-4-yl-(3,5-dimethylpiperazin-1-yl)methanone
PubChem CID119564206
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2,3-dihydro-1H-inden-4-yl-(3,5-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)c2cccc3c2CCC3)CC(C)N1
InChIInChI=1S/C16H22N2O/c1-11-9-18(10-12(2)17-11)16(19)15-8-4-6-13-5-3-7-14(13)15/h4,6,8,11-12,17H,3,5,7,9-10H2,1-2H3
InChIKeyPWTOYNSGCIRSSD-UHFFFAOYSA-N
XLogP2.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-1-(2,3-dihydro-1H-indene-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120949201
(2-methyl-1,4-oxazepan-4-yl)-(5,6,7,8-tetrahydronaphthalen-1-yl)methanone
CID 136545688
(3S,4S)-1-(2,3-dihydro-1H-indene-4-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120949200
(3S)-1-(2,3-dihydro-1H-indene-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 124610702
2,3-dihydro-1H-inden-4-yl-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)azetidin-1-yl]methanone
CID 128524883
(2,3-difluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone
CID 63872512
(3,5-dimethylpiperazin-1-yl)-phenylmethanone
CID 10560788
[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidin-1-yl]-(2,3-dihydro-1H-inden-4-yl)methanone
CID 120745755
(2-chloro-3-fluorophenyl)-(3,5-dimethylpiperazin-1-yl)methanone;hydrochloride
CID 119564485
4-(2,3-dihydro-1H-indene-4-carbonyl)-N-methylpiperazine-1-sulfonamide
CID 138997186
(2R,3R)-1-(2,3-dihydro-1H-indene-4-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122114525
(3,5-dimethylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119564484

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-4-yl-(3,5-dimethylpiperazin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-inden-4-yl-(3,5-dimethylpiperazin-1-yl)methanone (CID 119564206) is 2,3-dihydro-1H-inden-4-yl-(3,5-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-4-yl-(3,5-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-4-yl-(3,5-dimethylpiperazin-1-yl)methanone is CC1CN(C(=O)c2cccc3c2CCC3)CC(C)N1.
What is the InChIKey of 2,3-dihydro-1H-inden-4-yl-(3,5-dimethylpiperazin-1-yl)methanone?
The InChIKey is PWTOYNSGCIRSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-9-18(10-12(2)17-11)16(19)15-8-4-6-13-5-3-7-14(13)15/h4,6,8,11-12,17H,3,5,7,9-10H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-inden-4-yl-(3,5-dimethylpiperazin-1-yl)methanone?
2,3-dihydro-1H-inden-4-yl-(3,5-dimethylpiperazin-1-yl)methanone has a molecular weight of 258.36 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-4-yl-(3,5-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 119564206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).