N-[1-[[(3R)-1-[[4-(2-ethoxyethoxy)phenyl]methyl]-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide

C23H37N3O4 — CID 129455927

IUPACN-[1-[[(3R)-1-[[4-(2-ethoxyethoxy)phenyl]methyl]-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCCOCCOc1ccc(CN2CC[C@@](O)(CN3CCC(NC(C)=O)CC3)C2)cc1
InChIInChI=1S/C23H37N3O4/c1-3-29-14-15-30-22-6-4-20(5-7-22)16-26-13-10-23(28,18-26)17-25-11-8-21(9-12-25)24-19(2)27/h4-7,21,28H,3,8-18H2,1-2H3,(H,24,27)/t23-/m1/s1
InChIKeyJYYKFJQIMRTWGO-HSZRJFAPSA-N
MW419.57 g/mol
LogP1.64
Rot. Bonds10

About N-[1-[[(3R)-1-[[4-(2-ethoxyethoxy)phenyl]methyl]-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide

N-[1-[[(3R)-1-[[4-(2-ethoxyethoxy)phenyl]methyl]-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 129455927) has the molecular formula C23H37N3O4 and a molecular weight of 419.57 g/mol. Its IUPAC name is N-[1-[[(3R)-1-[[4-(2-ethoxyethoxy)phenyl]methyl]-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[(3R)-1-[[4-(2-ethoxyethoxy)phenyl]methyl]-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
PubChem CID129455927
Molecular FormulaC23H37N3O4
Molecular Weight419.57 g/mol
Exact Mass419.28
IUPAC NameN-[1-[[(3R)-1-[[4-(2-ethoxyethoxy)phenyl]methyl]-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCCOCCOc1ccc(CN2CC[C@@](O)(CN3CCC(NC(C)=O)CC3)C2)cc1
InChIInChI=1S/C23H37N3O4/c1-3-29-14-15-30-22-6-4-20(5-7-22)16-26-13-10-23(28,18-26)17-25-11-8-21(9-12-25)24-19(2)27/h4-7,21,28H,3,8-18H2,1-2H3,(H,24,27)/t23-/m1/s1
InChIKeyJYYKFJQIMRTWGO-HSZRJFAPSA-N
XLogP1.64
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[[(3R)-3-hydroxy-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 129456420
1-[[4-(2-ethoxyethoxy)phenyl]methyl]piperidine-4-carbohydrazide
CID 54848362
N-[1-[[4-hydroxy-1-[2-(4-methoxyphenyl)acetyl]azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110123234
(3S)-1-[[4-(2-fluoroethoxy)phenyl]methyl]-3-[(4-phenylpiperazin-1-yl)methyl]pyrrolidin-3-ol
CID 129458541
N-[1-[[(4S)-4-hydroxy-1-(4-methoxybenzoyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 125021477
2-[4-[[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 132778983
N-[1-[[3-hydroxy-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 127248093
N-(1-benzylpiperidin-4-yl)-4-(2-methoxyethoxy)benzamide
CID 17176539
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
N-[1-[[4-hydroxy-1-(1-propylpyrazole-3-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110123189
N-[1-[[(4R)-4-hydroxy-1-[4-(methoxymethyl)benzoyl]azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 124998669
(3S)-3-(hydroxymethyl)-1-[[4-(2-phenylethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 99957922

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(3R)-1-[[4-(2-ethoxyethoxy)phenyl]methyl]-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[(3R)-1-[[4-(2-ethoxyethoxy)phenyl]methyl]-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide (CID 129455927) is N-[1-[[(3R)-1-[[4-(2-ethoxyethoxy)phenyl]methyl]-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[(3R)-1-[[4-(2-ethoxyethoxy)phenyl]methyl]-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[(3R)-1-[[4-(2-ethoxyethoxy)phenyl]methyl]-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide is CCOCCOc1ccc(CN2CC[C@@](O)(CN3CCC(NC(C)=O)CC3)C2)cc1.
What is the InChIKey of N-[1-[[(3R)-1-[[4-(2-ethoxyethoxy)phenyl]methyl]-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is JYYKFJQIMRTWGO-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H37N3O4/c1-3-29-14-15-30-22-6-4-20(5-7-22)16-26-13-10-23(28,18-26)17-25-11-8-21(9-12-25)24-19(2)27/h4-7,21,28H,3,8-18H2,1-2H3,(H,24,27)/t23-/m1/s1.
What are the key properties of N-[1-[[(3R)-1-[[4-(2-ethoxyethoxy)phenyl]methyl]-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide?
N-[1-[[(3R)-1-[[4-(2-ethoxyethoxy)phenyl]methyl]-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 419.57 g/mol, XLogP of 1.64, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(3R)-1-[[4-(2-ethoxyethoxy)phenyl]methyl]-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 129455927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).