(4-butylpiperazin-1-yl)-(1,3-dihydroisoindol-2-yl)methanone

C17H25N3O — CID 20795356

IUPAC(4-butylpiperazin-1-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESCCCCN1CCN(C(=O)N2Cc3ccccc3C2)CC1
InChIInChI=1S/C17H25N3O/c1-2-3-8-18-9-11-19(12-10-18)17(21)20-13-15-6-4-5-7-16(15)14-20/h4-7H,2-3,8-14H2,1H3
InChIKeyONZIOFNDCSLCRS-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.54
Rot. Bonds3

About (4-butylpiperazin-1-yl)-(1,3-dihydroisoindol-2-yl)methanone

(4-butylpiperazin-1-yl)-(1,3-dihydroisoindol-2-yl)methanone (PubChem CID 20795356) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (4-butylpiperazin-1-yl)-(1,3-dihydroisoindol-2-yl)methanone.

Molecular Properties

Compound Name(4-butylpiperazin-1-yl)-(1,3-dihydroisoindol-2-yl)methanone
PubChem CID20795356
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(4-butylpiperazin-1-yl)-(1,3-dihydroisoindol-2-yl)methanone
SMILESCCCCN1CCN(C(=O)N2Cc3ccccc3C2)CC1
InChIInChI=1S/C17H25N3O/c1-2-3-8-18-9-11-19(12-10-18)17(21)20-13-15-6-4-5-7-16(15)14-20/h4-7H,2-3,8-14H2,1H3
InChIKeyONZIOFNDCSLCRS-UHFFFAOYSA-N
XLogP2.54
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-ethylpiperazine-1-carboxamide
CID 858176
1-(2-Methylbenzyl)imidazolidin-2-one
CID 3241808
1-(1-Benzyl-piperidin-4-yl)-3-methyl-4,4-diphenyl-imidazolidin-2-one
CID 16124708
1-(1-Benzyl-piperidin-4-yl)-3-benzyl-4-phenyl-imidazolidin-2-one
CID 16124769
2-(2-(Diethylamino)ethyl)-isoindoline
CID 52573
(3aR,7aR)-1-(1-Benzyl-piperidin-4-yl)-3-ethyl-octahydro-benzoimidazol-2-one
CID 9902583
Trimethyl-[2-(2-oxo-4,4-diphenyl-imidazolidin-1-yl)-ethyl]-ammonium
CID 16125535
(S)-2-(2-Piperidin-1-yl-ethyl)-1,5,10,10a-tetrahydro-2H-imidazo[1,5-b]isoquinolin-3-one
CID 44403246
(S)-2-(2-Piperidin-1-yl-ethyl)-1,2,3,5,10,10a-hexahydro-imidazo[1,5-b]isoquinoline
CID 44403247
(S)-isoindolin-2-yl(2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl)methanone
CID 44418471
Isoindolin-2-yl(4-isopropylpiperazin-1-yl)methanone
CID 44418472
(4-Cyclopropylpiperazin-1-yl)(isoindolin-2-yl)methanone
CID 44418473

Frequently Asked Questions

What is the IUPAC name of (4-butylpiperazin-1-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The IUPAC name of (4-butylpiperazin-1-yl)-(1,3-dihydroisoindol-2-yl)methanone (CID 20795356) is (4-butylpiperazin-1-yl)-(1,3-dihydroisoindol-2-yl)methanone.
What is the SMILES notation for (4-butylpiperazin-1-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The canonical SMILES for (4-butylpiperazin-1-yl)-(1,3-dihydroisoindol-2-yl)methanone is CCCCN1CCN(C(=O)N2Cc3ccccc3C2)CC1.
What is the InChIKey of (4-butylpiperazin-1-yl)-(1,3-dihydroisoindol-2-yl)methanone?
The InChIKey is ONZIOFNDCSLCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-3-8-18-9-11-19(12-10-18)17(21)20-13-15-6-4-5-7-16(15)14-20/h4-7H,2-3,8-14H2,1H3.
What are the key properties of (4-butylpiperazin-1-yl)-(1,3-dihydroisoindol-2-yl)methanone?
(4-butylpiperazin-1-yl)-(1,3-dihydroisoindol-2-yl)methanone has a molecular weight of 287.41 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylpiperazin-1-yl)-(1,3-dihydroisoindol-2-yl)methanone is sourced from PubChem (CID 20795356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).