N-[1-[[(3R)-3-hydroxy-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide

C24H38N4O3 — CID 129456420

IUPACN-[1-[[(3R)-3-hydroxy-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C[C@]2(O)CCN(Cc3cccc(CN4CCOCC4)c3)C2)CC1
InChIInChI=1S/C24H38N4O3/c1-20(29)25-23-5-8-27(9-6-23)18-24(30)7-10-28(19-24)17-22-4-2-3-21(15-22)16-26-11-13-31-14-12-26/h2-4,15,23,30H,5-14,16-19H2,1H3,(H,25,29)/t24-/m1/s1
InChIKeyLUVXQJNTLOLYKN-XMMPIXPASA-N
MW430.59 g/mol
LogP1.06
Rot. Bonds7

About N-[1-[[(3R)-3-hydroxy-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide

N-[1-[[(3R)-3-hydroxy-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 129456420) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is N-[1-[[(3R)-3-hydroxy-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[[(3R)-3-hydroxy-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
PubChem CID129456420
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC NameN-[1-[[(3R)-3-hydroxy-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C[C@]2(O)CCN(Cc3cccc(CN4CCOCC4)c3)C2)CC1
InChIInChI=1S/C24H38N4O3/c1-20(29)25-23-5-8-27(9-6-23)18-24(30)7-10-28(19-24)17-22-4-2-3-21(15-22)16-26-11-13-31-14-12-26/h2-4,15,23,30H,5-14,16-19H2,1H3,(H,25,29)/t24-/m1/s1
InChIKeyLUVXQJNTLOLYKN-XMMPIXPASA-N
XLogP1.06
TPSA68.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(morpholin-4-ylmethyl)-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol
CID 132771184
N-[1-[[(3R)-1-[[4-(2-ethoxyethoxy)phenyl]methyl]-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 129455927
N-[1-[[(3S)-3-hydroxy-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 124990593
N-[1-[[3-hydroxy-1-(1-methylpyrrole-2-carbonyl)pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 127248093
N-[1-[[(3R)-1-(cyclopropanecarbonyl)-3-hydroxypyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide
CID 124997633
ethane;[3-(morpholin-4-ylmethyl)phenyl]methanol
CID 164591484
3-[(3-acetamidopyrrolidin-1-yl)methyl]benzoic acid
CID 113402458
2-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-N-(oxan-4-yl)acetamide
CID 165431669
3-[[(4-methoxyphenyl)methyl-methylamino]methyl]-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-ol
CID 132779151
2-methyl-8-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70755266
N-[1-[[(4R)-4-hydroxy-1-(2-methyl-1,3-oxazole-4-carbonyl)azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 124999654
N-[1-[[4-hydroxy-1-[2-(4-methoxyphenyl)acetyl]azepan-4-yl]methyl]piperidin-4-yl]acetamide
CID 110123234

Frequently Asked Questions

What is the IUPAC name of N-[1-[[(3R)-3-hydroxy-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[[(3R)-3-hydroxy-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide (CID 129456420) is N-[1-[[(3R)-3-hydroxy-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[[(3R)-3-hydroxy-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[[(3R)-3-hydroxy-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(C[C@]2(O)CCN(Cc3cccc(CN4CCOCC4)c3)C2)CC1.
What is the InChIKey of N-[1-[[(3R)-3-hydroxy-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide?
The InChIKey is LUVXQJNTLOLYKN-XMMPIXPASA-N. The full InChI is InChI=1S/C24H38N4O3/c1-20(29)25-23-5-8-27(9-6-23)18-24(30)7-10-28(19-24)17-22-4-2-3-21(15-22)16-26-11-13-31-14-12-26/h2-4,15,23,30H,5-14,16-19H2,1H3,(H,25,29)/t24-/m1/s1.
What are the key properties of N-[1-[[(3R)-3-hydroxy-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide?
N-[1-[[(3R)-3-hydroxy-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 430.59 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[(3R)-3-hydroxy-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyrrolidin-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 129456420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).