[4-(cyclopropylmethyl)piperazin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone

C17H22N2O2 — CID 49195660

IUPAC[4-(cyclopropylmethyl)piperazin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
SMILESO=C(c1ccc2c(c1)COC2)N1CCN(CC2CC2)CC1
InChIInChI=1S/C17H22N2O2/c20-17(14-3-4-15-11-21-12-16(15)9-14)19-7-5-18(6-8-19)10-13-1-2-13/h3-4,9,13H,1-2,5-8,10-12H2
InChIKeyPVEJHSGWVXVOFV-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.88
Rot. Bonds3

About [4-(cyclopropylmethyl)piperazin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone

[4-(cyclopropylmethyl)piperazin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone (PubChem CID 49195660) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is [4-(cyclopropylmethyl)piperazin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethyl)piperazin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
PubChem CID49195660
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name[4-(cyclopropylmethyl)piperazin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone
SMILESO=C(c1ccc2c(c1)COC2)N1CCN(CC2CC2)CC1
InChIInChI=1S/C17H22N2O2/c20-17(14-3-4-15-11-21-12-16(15)9-14)19-7-5-18(6-8-19)10-13-1-2-13/h3-4,9,13H,1-2,5-8,10-12H2
InChIKeyPVEJHSGWVXVOFV-UHFFFAOYSA-N
XLogP1.88
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone?
The IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone (CID 49195660) is [4-(cyclopropylmethyl)piperazin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone.
What is the SMILES notation for [4-(cyclopropylmethyl)piperazin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone?
The canonical SMILES for [4-(cyclopropylmethyl)piperazin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone is O=C(c1ccc2c(c1)COC2)N1CCN(CC2CC2)CC1.
What is the InChIKey of [4-(cyclopropylmethyl)piperazin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone?
The InChIKey is PVEJHSGWVXVOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c20-17(14-3-4-15-11-21-12-16(15)9-14)19-7-5-18(6-8-19)10-13-1-2-13/h3-4,9,13H,1-2,5-8,10-12H2.
What are the key properties of [4-(cyclopropylmethyl)piperazin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone?
[4-(cyclopropylmethyl)piperazin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone has a molecular weight of 286.38 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethyl)piperazin-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanone is sourced from PubChem (CID 49195660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).