N-[(3R)-6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl]-4-methoxypiperidine-1-carboxamide

C15H18Cl2N2O3 — CID 96519250

IUPACN-[(3R)-6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl]-4-methoxypiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CC1
InChIInChI=1S/C15H18Cl2N2O3/c1-21-9-4-6-19(7-5-9)15(20)18-12-8-22-14-10(12)2-3-11(16)13(14)17/h2-3,9,12H,4-8H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyBLBGEDJTZADTRF-LBPRGKRZSA-N
MW345.23 g/mol
LogP3.25
Rot. Bonds2

About N-[(3R)-6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl]-4-methoxypiperidine-1-carboxamide

N-[(3R)-6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl]-4-methoxypiperidine-1-carboxamide (PubChem CID 96519250) has the molecular formula C15H18Cl2N2O3 and a molecular weight of 345.23 g/mol. Its IUPAC name is N-[(3R)-6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl]-4-methoxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl]-4-methoxypiperidine-1-carboxamide
PubChem CID96519250
Molecular FormulaC15H18Cl2N2O3
Molecular Weight345.23 g/mol
Exact Mass344.07
IUPAC NameN-[(3R)-6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl]-4-methoxypiperidine-1-carboxamide
SMILESCOC1CCN(C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CC1
InChIInChI=1S/C15H18Cl2N2O3/c1-21-9-4-6-19(7-5-9)15(20)18-12-8-22-14-10(12)2-3-11(16)13(14)17/h2-3,9,12H,4-8H2,1H3,(H,18,20)/t12-/m0/s1
InChIKeyBLBGEDJTZADTRF-LBPRGKRZSA-N
XLogP3.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.23
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl]-4-methoxypiperidine-1-carboxamide?
The IUPAC name of N-[(3R)-6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl]-4-methoxypiperidine-1-carboxamide (CID 96519250) is N-[(3R)-6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl]-4-methoxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(3R)-6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl]-4-methoxypiperidine-1-carboxamide?
The canonical SMILES for N-[(3R)-6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl]-4-methoxypiperidine-1-carboxamide is COC1CCN(C(=O)N[C@H]2COc3c2ccc(Cl)c3Cl)CC1.
What is the InChIKey of N-[(3R)-6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl]-4-methoxypiperidine-1-carboxamide?
The InChIKey is BLBGEDJTZADTRF-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18Cl2N2O3/c1-21-9-4-6-19(7-5-9)15(20)18-12-8-22-14-10(12)2-3-11(16)13(14)17/h2-3,9,12H,4-8H2,1H3,(H,18,20)/t12-/m0/s1.
What are the key properties of N-[(3R)-6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl]-4-methoxypiperidine-1-carboxamide?
N-[(3R)-6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl]-4-methoxypiperidine-1-carboxamide has a molecular weight of 345.23 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-6,7-dichloro-2,3-dihydro-1-benzofuran-3-yl]-4-methoxypiperidine-1-carboxamide is sourced from PubChem (CID 96519250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).