2-(1-acetylpiperidin-4-yl)oxy-N-[(2-amino-3-pyridinyl)methyl]-5-methoxybenzamide

C21H26N4O4 — CID 72887052

IUPAC2-(1-acetylpiperidin-4-yl)oxy-N-[(2-amino-3-pyridinyl)methyl]-5-methoxybenzamide
SMILESCOc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NCc2cccnc2N)c1
InChIInChI=1S/C21H26N4O4/c1-14(26)25-10-7-16(8-11-25)29-19-6-5-17(28-2)12-18(19)21(27)24-13-15-4-3-9-23-20(15)22/h3-6,9,12,16H,7-8,10-11,13H2,1-2H3,(H2,22,23)(H,24,27)
InChIKeySTROZSPZKRLDBM-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.99
Rot. Bonds6

About 2-(1-acetylpiperidin-4-yl)oxy-N-[(2-amino-3-pyridinyl)methyl]-5-methoxybenzamide

2-(1-acetylpiperidin-4-yl)oxy-N-[(2-amino-3-pyridinyl)methyl]-5-methoxybenzamide (PubChem CID 72887052) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)oxy-N-[(2-amino-3-pyridinyl)methyl]-5-methoxybenzamide.

Molecular Properties

Compound Name2-(1-acetylpiperidin-4-yl)oxy-N-[(2-amino-3-pyridinyl)methyl]-5-methoxybenzamide
PubChem CID72887052
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name2-(1-acetylpiperidin-4-yl)oxy-N-[(2-amino-3-pyridinyl)methyl]-5-methoxybenzamide
SMILESCOc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NCc2cccnc2N)c1
InChIInChI=1S/C21H26N4O4/c1-14(26)25-10-7-16(8-11-25)29-19-6-5-17(28-2)12-18(19)21(27)24-13-15-4-3-9-23-20(15)22/h3-6,9,12,16H,7-8,10-11,13H2,1-2H3,(H2,22,23)(H,24,27)
InChIKeySTROZSPZKRLDBM-UHFFFAOYSA-N
XLogP1.99
TPSA106.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-acetylpiperidin-4-yl)oxy-N-[(2-fluorophenyl)methyl]-5-methoxybenzamide
CID 42215995
N-[(2-amino-3-pyridinyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
CID 72903010
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2,5-difluorophenyl)methyl]-5-methoxybenzamide
CID 25277673
3-(1-acetylpiperidin-4-yl)oxy-4-methoxy-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 24791204
2-(1-acetylpiperidin-4-yl)oxy-N-[(4S)-2,2-dimethyloxan-4-yl]-5-methoxybenzamide
CID 42241187
2-(1-acetylpiperidin-4-yl)oxy-N-[(2R)-2-hydroxy-2-phenylethyl]-5-methoxy-N-methylbenzamide
CID 42556868
2-(1-cyclopentylpiperidin-4-yl)oxy-5-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 25456293
2-(1-cyclopentylpiperidin-4-yl)oxy-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-5-methoxybenzamide
CID 42241969
2-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-5-methoxybenzamide
CID 26334227
1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
2,4-dimethoxy-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533824
2-(2-amino-3-pyridinyl)-N-[[1-[[(3S)-6-methoxy-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-4-yl]methyl]acetamide
CID 139805149

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)oxy-N-[(2-amino-3-pyridinyl)methyl]-5-methoxybenzamide?
The IUPAC name of 2-(1-acetylpiperidin-4-yl)oxy-N-[(2-amino-3-pyridinyl)methyl]-5-methoxybenzamide (CID 72887052) is 2-(1-acetylpiperidin-4-yl)oxy-N-[(2-amino-3-pyridinyl)methyl]-5-methoxybenzamide.
What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)oxy-N-[(2-amino-3-pyridinyl)methyl]-5-methoxybenzamide?
The canonical SMILES for 2-(1-acetylpiperidin-4-yl)oxy-N-[(2-amino-3-pyridinyl)methyl]-5-methoxybenzamide is COc1ccc(OC2CCN(C(C)=O)CC2)c(C(=O)NCc2cccnc2N)c1.
What is the InChIKey of 2-(1-acetylpiperidin-4-yl)oxy-N-[(2-amino-3-pyridinyl)methyl]-5-methoxybenzamide?
The InChIKey is STROZSPZKRLDBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-14(26)25-10-7-16(8-11-25)29-19-6-5-17(28-2)12-18(19)21(27)24-13-15-4-3-9-23-20(15)22/h3-6,9,12,16H,7-8,10-11,13H2,1-2H3,(H2,22,23)(H,24,27).
What are the key properties of 2-(1-acetylpiperidin-4-yl)oxy-N-[(2-amino-3-pyridinyl)methyl]-5-methoxybenzamide?
2-(1-acetylpiperidin-4-yl)oxy-N-[(2-amino-3-pyridinyl)methyl]-5-methoxybenzamide has a molecular weight of 398.46 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-acetylpiperidin-4-yl)oxy-N-[(2-amino-3-pyridinyl)methyl]-5-methoxybenzamide is sourced from PubChem (CID 72887052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).