N-[(3R,4R)-4-hydroxy-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide

C23H37N3O5 — CID 129458491

IUPACN-[(3R,4R)-4-hydroxy-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CN(Cc2ccc(OCCN3CCC(C)CC3)c(OC)c2)C[C@H]1O
InChIInChI=1S/C23H37N3O5/c1-17-6-8-25(9-7-17)10-11-31-21-5-4-18(12-22(21)30-3)13-26-14-19(20(27)15-26)24-23(28)16-29-2/h4-5,12,17,19-20,27H,6-11,13-16H2,1-3H3,(H,24,28)/t19-,20-/m1/s1
InChIKeyUCPINWZMDHTJPS-WOJBJXKFSA-N
MW435.57 g/mol
LogP1.11
Rot. Bonds10

About N-[(3R,4R)-4-hydroxy-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide

N-[(3R,4R)-4-hydroxy-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide (PubChem CID 129458491) has the molecular formula C23H37N3O5 and a molecular weight of 435.57 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxy-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxy-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide
PubChem CID129458491
Molecular FormulaC23H37N3O5
Molecular Weight435.57 g/mol
Exact Mass435.27
IUPAC NameN-[(3R,4R)-4-hydroxy-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide
SMILESCOCC(=O)N[C@@H]1CN(Cc2ccc(OCCN3CCC(C)CC3)c(OC)c2)C[C@H]1O
InChIInChI=1S/C23H37N3O5/c1-17-6-8-25(9-7-17)10-11-31-21-5-4-18(12-22(21)30-3)13-26-14-19(20(27)15-26)24-23(28)16-29-2/h4-5,12,17,19-20,27H,6-11,13-16H2,1-3H3,(H,24,28)/t19-,20-/m1/s1
InChIKeyUCPINWZMDHTJPS-WOJBJXKFSA-N
XLogP1.11
TPSA83.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3R,4R)-1-[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methyl]-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
CID 129456568
N-[(3R,4R)-1-benzyl-4-hydroxypyrrolidin-3-yl]-2-methoxyacetamide
CID 110133026
N-[(3R,4R)-4-hydroxy-1-(2-methoxyethyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 110133031
N-(2-hydroxyethyl)-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]-2-methylpyrrolidine-2-carboxamide
CID 132766866
N-[(3R,4R,6R)-3,6-dihydroxy-1-[[4-methoxy-3-(2-methoxyethoxy)phenyl]methyl]azepan-4-yl]acetamide
CID 129458771
1-[(4-hydroperoxy-3-methoxyphenyl)methyl]-4-methylpiperidine
CID 143148512
3-[3-methoxy-4-(2-morpholin-4-ylethoxy)phenyl]-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 19004562
1-[[3-methoxy-4-(2-methoxyethoxy)phenyl]methyl]-4-methylpyrrolidin-3-amine
CID 120909204
1-[2-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]ethyl]-4-methylpiperidine;oxalic acid
CID 16614115
N-[3-[3-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]propoxy]phenyl]acetamide
CID 167244418
N-[2-hydroxy-3-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]propoxy]-2-phenylacetamide
CID 174234321
(2S)-2-amino-2-[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]ethanol
CID 66516344

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxy-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[(3R,4R)-4-hydroxy-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide (CID 129458491) is N-[(3R,4R)-4-hydroxy-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxy-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxy-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide is COCC(=O)N[C@@H]1CN(Cc2ccc(OCCN3CCC(C)CC3)c(OC)c2)C[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxy-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide?
The InChIKey is UCPINWZMDHTJPS-WOJBJXKFSA-N. The full InChI is InChI=1S/C23H37N3O5/c1-17-6-8-25(9-7-17)10-11-31-21-5-4-18(12-22(21)30-3)13-26-14-19(20(27)15-26)24-23(28)16-29-2/h4-5,12,17,19-20,27H,6-11,13-16H2,1-3H3,(H,24,28)/t19-,20-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxy-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide?
N-[(3R,4R)-4-hydroxy-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide has a molecular weight of 435.57 g/mol, XLogP of 1.11, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxy-1-[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl]pyrrolidin-3-yl]-2-methoxyacetamide is sourced from PubChem (CID 129458491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).