4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide

C19H27N3O3 — CID 51084931

IUPAC4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCC1CCOC1)N1CCN(Cc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C19H27N3O3/c23-19(20-12-16-3-9-24-14-16)22-7-5-21(6-8-22)13-15-1-2-18-17(11-15)4-10-25-18/h1-2,11,16H,3-10,12-14H2,(H,20,23)
InChIKeySIUPCPDEFSXTSP-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.49
Rot. Bonds4

About 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide

4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide (PubChem CID 51084931) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide
PubChem CID51084931
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide
SMILESO=C(NCC1CCOC1)N1CCN(Cc2ccc3c(c2)CCO3)CC1
InChIInChI=1S/C19H27N3O3/c23-19(20-12-16-3-9-24-14-16)22-7-5-21(6-8-22)13-15-1-2-18-17(11-15)4-10-25-18/h1-2,11,16H,3-10,12-14H2,(H,20,23)
InChIKeySIUPCPDEFSXTSP-UHFFFAOYSA-N
XLogP1.49
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 165162690
2-[1-Cyclopentyl-4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-2-yl]ethanol
CID 16190699
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-phenylpiperazine-1-carboxamide
CID 11515570
1-[(2,4-difluorophenyl)methyl]-3-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 137520408
1-(2,3-Dihydro-1-benzofuran-5-ylmethyl)-4-methylpiperazine
CID 57956258
US11213525, Example 18
CID 137534300
US11787802, Example 104
CID 169489670
3-[1-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-piperidinyl]-N-(3-methoxybenzyl)propanamide
CID 16190000
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 45800228
4-(1,3-benzodioxol-5-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide
CID 53497879
1-Benzyl-3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)pyrrolidin-2-one
CID 56799995
[4-(2,3-Dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-(oxolan-3-yl)methanone
CID 56820446

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide (CID 51084931) is 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide is O=C(NCC1CCOC1)N1CCN(Cc2ccc3c(c2)CCO3)CC1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide?
The InChIKey is SIUPCPDEFSXTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c23-19(20-12-16-3-9-24-14-16)22-7-5-21(6-8-22)13-15-1-2-18-17(11-15)4-10-25-18/h1-2,11,16H,3-10,12-14H2,(H,20,23).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide?
4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-(oxolan-3-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 51084931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).