N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide

C21H28N4O2 — CID 131905975

IUPACN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
SMILESCN1CCC(Oc2ccc(NC(=O)CN(C)Cc3ccncc3)cc2)CC1
InChIInChI=1S/C21H28N4O2/c1-24-13-9-20(10-14-24)27-19-5-3-18(4-6-19)23-21(26)16-25(2)15-17-7-11-22-12-8-17/h3-8,11-12,20H,9-10,13-16H2,1-2H3,(H,23,26)
InChIKeyOUGGDSYJRIAATD-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.63
Rot. Bonds7

About N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide

N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide (PubChem CID 131905975) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
PubChem CID131905975
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
SMILESCN1CCC(Oc2ccc(NC(=O)CN(C)Cc3ccncc3)cc2)CC1
InChIInChI=1S/C21H28N4O2/c1-24-13-9-20(10-14-24)27-19-5-3-18(4-6-19)23-21(26)16-25(2)15-17-7-11-22-12-8-17/h3-8,11-12,20H,9-10,13-16H2,1-2H3,(H,23,26)
InChIKeyOUGGDSYJRIAATD-UHFFFAOYSA-N
XLogP2.63
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 71825357
5-[4-(1-methylpiperidin-4-yl)oxyanilino]-5-oxopentanoic acid
CID 131939316
4-(1-methylpiperidin-4-yl)oxypyridine
CID 18723159
2-(4-methyl-1,4-diazepan-1-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131940932
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 99970900
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131901818
2-(3-methyl-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 99971095
2-(1-benzylpiperidin-4-yl)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 131948813
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-(3-oxo-1-propan-2-ylpiperazin-2-yl)acetamide
CID 131929315
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide
CID 131934085
N-(4-cyclohexyloxyphenyl)-2-(diethylamino)acetamide;hydrochloride
CID 3026194
2-[(4-cyclopentyloxyphenyl)methyl-methylamino]acetic acid
CID 98017404

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide?
The IUPAC name of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide (CID 131905975) is N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide.
What is the SMILES notation for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide?
The canonical SMILES for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide is CN1CCC(Oc2ccc(NC(=O)CN(C)Cc3ccncc3)cc2)CC1.
What is the InChIKey of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide?
The InChIKey is OUGGDSYJRIAATD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-24-13-9-20(10-14-24)27-19-5-3-18(4-6-19)23-21(26)16-25(2)15-17-7-11-22-12-8-17/h3-8,11-12,20H,9-10,13-16H2,1-2H3,(H,23,26).
What are the key properties of N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide?
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylpiperidin-4-yl)oxyphenyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide is sourced from PubChem (CID 131905975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).