1-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-2-(dimethylamino)ethanone

C18H25N3O2 — CID 47031244

IUPAC1-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCN(C(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H25N3O2/c1-19(2)13-17(22)20-8-10-21(11-9-20)18(23)16-7-6-14-4-3-5-15(14)12-16/h6-7,12H,3-5,8-11,13H2,1-2H3
InChIKeyCSGGHLOGUYZFOC-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.02
Rot. Bonds3

About 1-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-2-(dimethylamino)ethanone

1-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-2-(dimethylamino)ethanone (PubChem CID 47031244) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-2-(dimethylamino)ethanone
PubChem CID47031244
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)N1CCN(C(=O)c2ccc3c(c2)CCC3)CC1
InChIInChI=1S/C18H25N3O2/c1-19(2)13-17(22)20-8-10-21(11-9-20)18(23)16-7-6-14-4-3-5-15(14)12-16/h6-7,12H,3-5,8-11,13H2,1-2H3
InChIKeyCSGGHLOGUYZFOC-UHFFFAOYSA-N
XLogP1.02
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazine-1-carboxamide
CID 38724077
2,3-dihydro-1H-inden-5-yl-(4-methylsulfonylpiperazin-1-yl)methanone
CID 51305538
2,3-dihydro-1H-inden-5-yl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 56779852
ethyl 4-(2,3-dihydro-1H-indene-5-carbonyl)-1,4-diazepane-1-carboxylate
CID 110808962
[4-(2,3-dihydro-1H-indene-5-carbonyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 38461269
[4-(2-aminoethyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 43251620
phenyl-[4-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)piperazin-1-yl]methanone
CID 84543270
2,3-dihydro-1H-inden-5-yl-(4-ethylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110810059
1-(aziridin-1-yl)-4-(2,3-dihydro-1H-inden-5-yl)butane-1,4-dione
CID 82117888
(4-methylsulfonylpiperazin-1-yl)-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 51305545
2-[1-(2,3-dihydro-1H-indene-5-carbonyl)piperidin-4-yl]acetamide
CID 86996686
2,3-dihydro-1H-inden-5-yl-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119648165

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-2-(dimethylamino)ethanone?
The IUPAC name of 1-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-2-(dimethylamino)ethanone (CID 47031244) is 1-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-2-(dimethylamino)ethanone?
The canonical SMILES for 1-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-2-(dimethylamino)ethanone is CN(C)CC(=O)N1CCN(C(=O)c2ccc3c(c2)CCC3)CC1.
What is the InChIKey of 1-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-2-(dimethylamino)ethanone?
The InChIKey is CSGGHLOGUYZFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-19(2)13-17(22)20-8-10-21(11-9-20)18(23)16-7-6-14-4-3-5-15(14)12-16/h6-7,12H,3-5,8-11,13H2,1-2H3.
What are the key properties of 1-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-2-(dimethylamino)ethanone?
1-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-2-(dimethylamino)ethanone has a molecular weight of 315.42 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1H-indene-5-carbonyl)piperazin-1-yl]-2-(dimethylamino)ethanone is sourced from PubChem (CID 47031244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).