N-[1-[2-[2-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-(cyclopropylmethyl)morpholin-2-yl]acetyl]piperidin-4-yl]acetamide

C26H38ClN3O4 — CID 132768375

IUPACN-[1-[2-[2-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-(cyclopropylmethyl)morpholin-2-yl]acetyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)CC2(COc3cc(C)c(Cl)c(C)c3)CN(CC3CC3)CCO2)CC1
InChIInChI=1S/C26H38ClN3O4/c1-18-12-23(13-19(2)25(18)27)33-17-26(16-29(10-11-34-26)15-21-4-5-21)14-24(32)30-8-6-22(7-9-30)28-20(3)31/h12-13,21-22H,4-11,14-17H2,1-3H3,(H,28,31)
InChIKeyUEOSIEUNLGDBJT-UHFFFAOYSA-N
MW492.06 g/mol
LogP3.33
Rot. Bonds8

About N-[1-[2-[2-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-(cyclopropylmethyl)morpholin-2-yl]acetyl]piperidin-4-yl]acetamide

N-[1-[2-[2-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-(cyclopropylmethyl)morpholin-2-yl]acetyl]piperidin-4-yl]acetamide (PubChem CID 132768375) has the molecular formula C26H38ClN3O4 and a molecular weight of 492.06 g/mol. Its IUPAC name is N-[1-[2-[2-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-(cyclopropylmethyl)morpholin-2-yl]acetyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-[2-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-(cyclopropylmethyl)morpholin-2-yl]acetyl]piperidin-4-yl]acetamide
PubChem CID132768375
Molecular FormulaC26H38ClN3O4
Molecular Weight492.06 g/mol
Exact Mass491.26
IUPAC NameN-[1-[2-[2-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-(cyclopropylmethyl)morpholin-2-yl]acetyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)CC2(COc3cc(C)c(Cl)c(C)c3)CN(CC3CC3)CCO2)CC1
InChIInChI=1S/C26H38ClN3O4/c1-18-12-23(13-19(2)25(18)27)33-17-26(16-29(10-11-34-26)15-21-4-5-21)14-24(32)30-8-6-22(7-9-30)28-20(3)31/h12-13,21-22H,4-11,14-17H2,1-3H3,(H,28,31)
InChIKeyUEOSIEUNLGDBJT-UHFFFAOYSA-N
XLogP3.33
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.06
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-[4-[(5-tert-butyl-2-hydroxyphenyl)methyl]-2-[(4-chloro-3,5-dimethylphenoxy)methyl]morpholin-2-yl]acetyl]piperidin-4-yl]acetamide
CID 132769639
2-[(2S)-2-[(4-chlorophenoxy)methyl]-4-(cyclopropylmethyl)morpholin-2-yl]-1-piperidin-1-ylethanone
CID 125018103
2-[2-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-[(3-methyl-2-pyridinyl)methyl]morpholin-2-yl]-1-(4-hydroxypiperidin-1-yl)ethanone
CID 110081931
2-[2-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-[(5-methyl-3-pyridinyl)methyl]morpholin-2-yl]-1-(4-hydroxypiperidin-1-yl)ethanone
CID 110081914
2-[2-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-[(5-methyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-1-(4-hydroxypiperidin-1-yl)ethanone
CID 110081912
2-[2-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]morpholin-2-yl]-1-(4-hydroxypiperidin-1-yl)ethanone
CID 110081928
2-[(2S)-2-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-[[2-(3-chlorophenoxy)phenyl]methyl]morpholin-2-yl]-1-(4-hydroxypiperidin-1-yl)ethanone
CID 124988417
2-chloro-N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]propanamide
CID 108565024
2-(4-chloro-3,5-dimethylphenoxy)-N-[1-(3-methoxypropanoyl)piperidin-4-yl]acetamide
CID 108552764
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 108555517
2-[(2R)-2-[(4-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 125025464
2-[(2S)-2-[(4-chlorophenoxy)methyl]-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]-1-morpholin-4-ylethanone
CID 125025465

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-(cyclopropylmethyl)morpholin-2-yl]acetyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-[2-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-(cyclopropylmethyl)morpholin-2-yl]acetyl]piperidin-4-yl]acetamide (CID 132768375) is N-[1-[2-[2-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-(cyclopropylmethyl)morpholin-2-yl]acetyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-[2-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-(cyclopropylmethyl)morpholin-2-yl]acetyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-[2-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-(cyclopropylmethyl)morpholin-2-yl]acetyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)CC2(COc3cc(C)c(Cl)c(C)c3)CN(CC3CC3)CCO2)CC1.
What is the InChIKey of N-[1-[2-[2-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-(cyclopropylmethyl)morpholin-2-yl]acetyl]piperidin-4-yl]acetamide?
The InChIKey is UEOSIEUNLGDBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38ClN3O4/c1-18-12-23(13-19(2)25(18)27)33-17-26(16-29(10-11-34-26)15-21-4-5-21)14-24(32)30-8-6-22(7-9-30)28-20(3)31/h12-13,21-22H,4-11,14-17H2,1-3H3,(H,28,31).
What are the key properties of N-[1-[2-[2-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-(cyclopropylmethyl)morpholin-2-yl]acetyl]piperidin-4-yl]acetamide?
N-[1-[2-[2-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-(cyclopropylmethyl)morpholin-2-yl]acetyl]piperidin-4-yl]acetamide has a molecular weight of 492.06 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[2-[(4-chloro-3,5-dimethylphenoxy)methyl]-4-(cyclopropylmethyl)morpholin-2-yl]acetyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 132768375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).