1-(4-acetamidopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide

C20H25N5O3 — CID 87050810

IUPAC1-(4-acetamidopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(c2cncnc2NC(C)=O)CC1
InChIInChI=1S/C20H25N5O3/c1-14(26)24-19-17(12-21-13-23-19)25-9-7-15(8-10-25)20(27)22-11-16-5-3-4-6-18(16)28-2/h3-6,12-13,15H,7-11H2,1-2H3,(H,22,27)(H,21,23,24,26)
InChIKeyNCZPNZHEEMRXAZ-UHFFFAOYSA-N
MW383.45 g/mol
LogP1.98
Rot. Bonds6

About 1-(4-acetamidopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide

1-(4-acetamidopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 87050810) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-(4-acetamidopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-acetamidopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID87050810
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name1-(4-acetamidopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccccc1CNC(=O)C1CCN(c2cncnc2NC(C)=O)CC1
InChIInChI=1S/C20H25N5O3/c1-14(26)24-19-17(12-21-13-23-19)25-9-7-15(8-10-25)20(27)22-11-16-5-3-4-6-18(16)28-2/h3-6,12-13,15H,7-11H2,1-2H3,(H,22,27)(H,21,23,24,26)
InChIKeyNCZPNZHEEMRXAZ-UHFFFAOYSA-N
XLogP1.98
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-(6-methylpyridazin-3-yl)piperidine-4-carboxamide
CID 121118870
N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 774752
1-(4-ethoxyphthalazin-1-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 20887896
N-[(2-methoxyphenyl)methyl]-1-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
CID 50781259
1-N-[(2-methoxyphenyl)methyl]-4-N-phenylcyclohexane-1,4-dicarboxamide
CID 109148544
1-[4-(dimethylamino)pyrimidin-5-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 53165559
N-[(2-methoxyphenyl)methyl]-1-(6-methyl-1,3-benzothiazol-2-yl)piperidine-4-carboxamide
CID 20886703
N-[(2-chlorophenyl)methyl]-1-(4-morpholin-4-ylpyrimidin-5-yl)piperidine-4-carboxamide
CID 53165808
N-[(2-methoxyphenyl)methyl]-1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxamide
CID 53285534
N-[(2-methoxyphenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-4-carboxamide
CID 75551253
1-(6-chloro-1,3-benzothiazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 4609437
4-(4-ethylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 109147502

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetamidopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-acetamidopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 87050810) is 1-(4-acetamidopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-acetamidopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-acetamidopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccccc1CNC(=O)C1CCN(c2cncnc2NC(C)=O)CC1.
What is the InChIKey of 1-(4-acetamidopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is NCZPNZHEEMRXAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-14(26)24-19-17(12-21-13-23-19)25-9-7-15(8-10-25)20(27)22-11-16-5-3-4-6-18(16)28-2/h3-6,12-13,15H,7-11H2,1-2H3,(H,22,27)(H,21,23,24,26).
What are the key properties of 1-(4-acetamidopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-(4-acetamidopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetamidopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 87050810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).