N-[(4R,5S)-1-[[bis[(4-methoxyphenyl)methyl]amino]methyl]-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide

C25H35N3O6 — CID 59316678

IUPACN-[(4R,5S)-1-[[bis[(4-methoxyphenyl)methyl]amino]methyl]-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)CN2CC(NC(C)=O)[C@@H](O)[C@@H](O)C2CO)cc1
InChIInChI=1S/C25H35N3O6/c1-17(30)26-22-14-28(23(15-29)25(32)24(22)31)16-27(12-18-4-8-20(33-2)9-5-18)13-19-6-10-21(34-3)11-7-19/h4-11,22-25,29,31-32H,12-16H2,1-3H3,(H,26,30)/t22?,23?,24-,25+/m1/s1
InChIKeyUTVMZVZNUXBSEE-CXMUWEKQSA-N
MW473.57 g/mol
LogP0.57
Rot. Bonds10

About N-[(4R,5S)-1-[[bis[(4-methoxyphenyl)methyl]amino]methyl]-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide

N-[(4R,5S)-1-[[bis[(4-methoxyphenyl)methyl]amino]methyl]-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide (PubChem CID 59316678) has the molecular formula C25H35N3O6 and a molecular weight of 473.57 g/mol. Its IUPAC name is N-[(4R,5S)-1-[[bis[(4-methoxyphenyl)methyl]amino]methyl]-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4R,5S)-1-[[bis[(4-methoxyphenyl)methyl]amino]methyl]-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
PubChem CID59316678
Molecular FormulaC25H35N3O6
Molecular Weight473.57 g/mol
Exact Mass473.25
IUPAC NameN-[(4R,5S)-1-[[bis[(4-methoxyphenyl)methyl]amino]methyl]-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)CN2CC(NC(C)=O)[C@@H](O)[C@@H](O)C2CO)cc1
InChIInChI=1S/C25H35N3O6/c1-17(30)26-22-14-28(23(15-29)25(32)24(22)31)16-27(12-18-4-8-20(33-2)9-5-18)13-19-6-10-21(34-3)11-7-19/h4-11,22-25,29,31-32H,12-16H2,1-3H3,(H,26,30)/t22?,23?,24-,25+/m1/s1
InChIKeyUTVMZVZNUXBSEE-CXMUWEKQSA-N
XLogP0.57
TPSA114.73 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 50.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(4R,5S)-1-[[bis[(4-methoxyphenyl)methyl]amino]methyl]-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide?
The IUPAC name of N-[(4R,5S)-1-[[bis[(4-methoxyphenyl)methyl]amino]methyl]-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide (CID 59316678) is N-[(4R,5S)-1-[[bis[(4-methoxyphenyl)methyl]amino]methyl]-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide.
What is the SMILES notation for N-[(4R,5S)-1-[[bis[(4-methoxyphenyl)methyl]amino]methyl]-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide?
The canonical SMILES for N-[(4R,5S)-1-[[bis[(4-methoxyphenyl)methyl]amino]methyl]-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide is COc1ccc(CN(Cc2ccc(OC)cc2)CN2CC(NC(C)=O)[C@@H](O)[C@@H](O)C2CO)cc1.
What is the InChIKey of N-[(4R,5S)-1-[[bis[(4-methoxyphenyl)methyl]amino]methyl]-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide?
The InChIKey is UTVMZVZNUXBSEE-CXMUWEKQSA-N. The full InChI is InChI=1S/C25H35N3O6/c1-17(30)26-22-14-28(23(15-29)25(32)24(22)31)16-27(12-18-4-8-20(33-2)9-5-18)13-19-6-10-21(34-3)11-7-19/h4-11,22-25,29,31-32H,12-16H2,1-3H3,(H,26,30)/t22?,23?,24-,25+/m1/s1.
What are the key properties of N-[(4R,5S)-1-[[bis[(4-methoxyphenyl)methyl]amino]methyl]-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide?
N-[(4R,5S)-1-[[bis[(4-methoxyphenyl)methyl]amino]methyl]-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide has a molecular weight of 473.57 g/mol, XLogP of 0.57, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R,5S)-1-[[bis[(4-methoxyphenyl)methyl]amino]methyl]-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]acetamide is sourced from PubChem (CID 59316678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).