N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide

C22H33N3O4 — CID 56500816

IUPACN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
SMILESCC1CN(c2ccc(NC(=O)CN3CCCCC3C3OCCO3)cc2)CC(C)O1
InChIInChI=1S/C22H33N3O4/c1-16-13-25(14-17(2)29-16)19-8-6-18(7-9-19)23-21(26)15-24-10-4-3-5-20(24)22-27-11-12-28-22/h6-9,16-17,20,22H,3-5,10-15H2,1-2H3,(H,23,26)
InChIKeyLCWMKMUYPPYCOP-UHFFFAOYSA-N
MW403.52 g/mol
LogP2.47
Rot. Bonds5

About N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide

N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide (PubChem CID 56500816) has the molecular formula C22H33N3O4 and a molecular weight of 403.52 g/mol. Its IUPAC name is N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
PubChem CID56500816
Molecular FormulaC22H33N3O4
Molecular Weight403.52 g/mol
Exact Mass403.25
IUPAC NameN-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
SMILESCC1CN(c2ccc(NC(=O)CN3CCCCC3C3OCCO3)cc2)CC(C)O1
InChIInChI=1S/C22H33N3O4/c1-16-13-25(14-17(2)29-16)19-8-6-18(7-9-19)23-21(26)15-24-10-4-3-5-20(24)22-27-11-12-28-22/h6-9,16-17,20,22H,3-5,10-15H2,1-2H3,(H,23,26)
InChIKeyLCWMKMUYPPYCOP-UHFFFAOYSA-N
XLogP2.47
TPSA63.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 56500926
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-(4-phenylphenyl)acetamide
CID 56500400
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2125723
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 56502136
4-amino-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]cyclohexane-1-carboxamide
CID 70892650
N-(4-acetamidophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 4818604
2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 56501460
2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 110881550
2-(2-ethylpiperidin-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 109006402
1-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-3-propan-2-ylurea
CID 49283001
3-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1-methyl-1-[[(2R)-oxolan-2-yl]methyl]urea
CID 100856435
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide
CID 95271015

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide (CID 56500816) is N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide is CC1CN(c2ccc(NC(=O)CN3CCCCC3C3OCCO3)cc2)CC(C)O1.
What is the InChIKey of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide?
The InChIKey is LCWMKMUYPPYCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4/c1-16-13-25(14-17(2)29-16)19-8-6-18(7-9-19)23-21(26)15-24-10-4-3-5-20(24)22-27-11-12-28-22/h6-9,16-17,20,22H,3-5,10-15H2,1-2H3,(H,23,26).
What are the key properties of N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide?
N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide has a molecular weight of 403.52 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,6-dimethylmorpholin-4-yl)phenyl]-2-[2-(1,3-dioxolan-2-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 56500816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).