(2R)-N-(2-methoxydibenzofuran-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide

C27H29N3O4 — CID 40937996

IUPAC(2R)-N-(2-methoxydibenzofuran-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1cccc(N2CCN([C@H](C)C(=O)Nc3cc4oc5ccccc5c4cc3OC)CC2)c1
InChIInChI=1S/C27H29N3O4/c1-18(29-11-13-30(14-12-29)19-7-6-8-20(15-19)32-2)27(31)28-23-17-25-22(16-26(23)33-3)21-9-4-5-10-24(21)34-25/h4-10,15-18H,11-14H2,1-3H3,(H,28,31)/t18-/m1/s1
InChIKeyOZQBEOAURJRACC-GOSISDBHSA-N
MW459.55 g/mol
LogP4.75
Rot. Bonds6

About (2R)-N-(2-methoxydibenzofuran-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide

(2R)-N-(2-methoxydibenzofuran-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide (PubChem CID 40937996) has the molecular formula C27H29N3O4 and a molecular weight of 459.55 g/mol. Its IUPAC name is (2R)-N-(2-methoxydibenzofuran-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxydibenzofuran-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
PubChem CID40937996
Molecular FormulaC27H29N3O4
Molecular Weight459.55 g/mol
Exact Mass459.22
IUPAC Name(2R)-N-(2-methoxydibenzofuran-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
SMILESCOc1cccc(N2CCN([C@H](C)C(=O)Nc3cc4oc5ccccc5c4cc3OC)CC2)c1
InChIInChI=1S/C27H29N3O4/c1-18(29-11-13-30(14-12-29)19-7-6-8-20(15-19)32-2)27(31)28-23-17-25-22(16-26(23)33-3)21-9-4-5-10-24(21)34-25/h4-10,15-18H,11-14H2,1-3H3,(H,28,31)/t18-/m1/s1
InChIKeyOZQBEOAURJRACC-GOSISDBHSA-N
XLogP4.75
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4560795
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4880357
N-(3-chlorophenyl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide
CID 46162196
N-(2-methoxydibenzofuran-3-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119674201
(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]propanamide
CID 11944089
2-(3-ethylphenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 22831051
N-(2-methoxydibenzofuran-3-yl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 112773677
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51243255
(2R)-2-(azepan-1-ium-1-yl)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 2462122
2-(4-acetamidophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 4805328
(2S)-2-(4-fluorophenoxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7962389
2,4-dimethoxy-N-(2-methoxydibenzofuran-3-yl)benzamide
CID 2884928

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxydibenzofuran-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(2-methoxydibenzofuran-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide (CID 40937996) is (2R)-N-(2-methoxydibenzofuran-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(2-methoxydibenzofuran-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(2-methoxydibenzofuran-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide is COc1cccc(N2CCN([C@H](C)C(=O)Nc3cc4oc5ccccc5c4cc3OC)CC2)c1.
What is the InChIKey of (2R)-N-(2-methoxydibenzofuran-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide?
The InChIKey is OZQBEOAURJRACC-GOSISDBHSA-N. The full InChI is InChI=1S/C27H29N3O4/c1-18(29-11-13-30(14-12-29)19-7-6-8-20(15-19)32-2)27(31)28-23-17-25-22(16-26(23)33-3)21-9-4-5-10-24(21)34-25/h4-10,15-18H,11-14H2,1-3H3,(H,28,31)/t18-/m1/s1.
What are the key properties of (2R)-N-(2-methoxydibenzofuran-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide?
(2R)-N-(2-methoxydibenzofuran-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide has a molecular weight of 459.55 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxydibenzofuran-3-yl)-2-[4-(3-methoxyphenyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 40937996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).