1,3-benzodioxol-5-yl-[4-(3-propan-2-yloxycyclobutyl)piperazin-1-yl]methanone

C19H26N2O4 — CID 126816658

IUPAC1,3-benzodioxol-5-yl-[4-(3-propan-2-yloxycyclobutyl)piperazin-1-yl]methanone
SMILESCC(C)OC1CC(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1
InChIInChI=1S/C19H26N2O4/c1-13(2)25-16-10-15(11-16)20-5-7-21(8-6-20)19(22)14-3-4-17-18(9-14)24-12-23-17/h3-4,9,13,15-16H,5-8,10-12H2,1-2H3
InChIKeyUJRQJLNLGNEPNB-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.13
Rot. Bonds4

About 1,3-benzodioxol-5-yl-[4-(3-propan-2-yloxycyclobutyl)piperazin-1-yl]methanone

1,3-benzodioxol-5-yl-[4-(3-propan-2-yloxycyclobutyl)piperazin-1-yl]methanone (PubChem CID 126816658) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1,3-benzodioxol-5-yl-[4-(3-propan-2-yloxycyclobutyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name1,3-benzodioxol-5-yl-[4-(3-propan-2-yloxycyclobutyl)piperazin-1-yl]methanone
PubChem CID126816658
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name1,3-benzodioxol-5-yl-[4-(3-propan-2-yloxycyclobutyl)piperazin-1-yl]methanone
SMILESCC(C)OC1CC(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1
InChIInChI=1S/C19H26N2O4/c1-13(2)25-16-10-15(11-16)20-5-7-21(8-6-20)19(22)14-3-4-17-18(9-14)24-12-23-17/h3-4,9,13,15-16H,5-8,10-12H2,1-2H3
InChIKeyUJRQJLNLGNEPNB-UHFFFAOYSA-N
XLogP2.13
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-benzodioxol-5-yl-(4-propan-2-ylpiperazin-1-yl)methanone
CID 37299966
1,3-benzodioxol-5-yl-[4-[(1S)-1-cyclopropylethyl]piperazin-1-yl]methanone
CID 129370589
1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-2-methylbutan-1-one
CID 42896626
1,3-benzodioxol-5-yl-[4-(dimethylamino)piperidin-1-yl]methanone
CID 110473360
1,3-benzodioxol-5-yl-(4-ethylpiperazin-1-yl)methanone
CID 798684
1,3-benzodioxol-5-yl-[4-(3,5-dihydroxybenzoyl)piperazin-1-yl]methanone
CID 108537024
methyl N-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]carbamate
CID 110821565
3-amino-1-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119703481
1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(3-methylbutyl)piperidine-4-carboxamide
CID 42881491
2-[4-(1,3-benzodioxole-5-carbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 120549237
1,3-benzodioxol-5-yl-(3-piperazin-1-ylazetidin-1-yl)methanone
CID 66195384
1,3-benzodioxol-5-yl-[4-(2-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 113076112

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-yl-[4-(3-propan-2-yloxycyclobutyl)piperazin-1-yl]methanone?
The IUPAC name of 1,3-benzodioxol-5-yl-[4-(3-propan-2-yloxycyclobutyl)piperazin-1-yl]methanone (CID 126816658) is 1,3-benzodioxol-5-yl-[4-(3-propan-2-yloxycyclobutyl)piperazin-1-yl]methanone.
What is the SMILES notation for 1,3-benzodioxol-5-yl-[4-(3-propan-2-yloxycyclobutyl)piperazin-1-yl]methanone?
The canonical SMILES for 1,3-benzodioxol-5-yl-[4-(3-propan-2-yloxycyclobutyl)piperazin-1-yl]methanone is CC(C)OC1CC(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)C1.
What is the InChIKey of 1,3-benzodioxol-5-yl-[4-(3-propan-2-yloxycyclobutyl)piperazin-1-yl]methanone?
The InChIKey is UJRQJLNLGNEPNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-13(2)25-16-10-15(11-16)20-5-7-21(8-6-20)19(22)14-3-4-17-18(9-14)24-12-23-17/h3-4,9,13,15-16H,5-8,10-12H2,1-2H3.
What are the key properties of 1,3-benzodioxol-5-yl-[4-(3-propan-2-yloxycyclobutyl)piperazin-1-yl]methanone?
1,3-benzodioxol-5-yl-[4-(3-propan-2-yloxycyclobutyl)piperazin-1-yl]methanone has a molecular weight of 346.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-yl-[4-(3-propan-2-yloxycyclobutyl)piperazin-1-yl]methanone is sourced from PubChem (CID 126816658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).