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

C24H28N4O3 — CID 20887896

IUPAC1-(4-ethoxyphthalazin-1-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCOc1nnc(N2CCC(C(=O)NCc3ccccc3OC)CC2)c2ccccc12
InChIInChI=1S/C24H28N4O3/c1-3-31-24-20-10-6-5-9-19(20)22(26-27-24)28-14-12-17(13-15-28)23(29)25-16-18-8-4-7-11-21(18)30-2/h4-11,17H,3,12-16H2,1-2H3,(H,25,29)
InChIKeyQPIIXSOZAXKUTD-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.57
Rot. Bonds7

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

1-(4-ethoxyphthalazin-1-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 20887896) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-(4-ethoxyphthalazin-1-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-ethoxyphthalazin-1-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID20887896
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name1-(4-ethoxyphthalazin-1-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCCOc1nnc(N2CCC(C(=O)NCc3ccccc3OC)CC2)c2ccccc12
InChIInChI=1S/C24H28N4O3/c1-3-31-24-20-10-6-5-9-19(20)22(26-27-24)28-14-12-17(13-15-28)23(29)25-16-18-8-4-7-11-21(18)30-2/h4-11,17H,3,12-16H2,1-2H3,(H,25,29)
InChIKeyQPIIXSOZAXKUTD-UHFFFAOYSA-N
XLogP3.57
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.57
H-Bond Donors ≤ 51
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-(4-methyl-3-oxopyrido[2,3-b]pyrazin-2-yl)piperidine-4-carboxamide
CID 50781259
1-(4-ethoxyphenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 31287972
N-[(2-methoxyphenyl)methyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 774752
1-(4-acetamidopyrimidin-5-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 87050810
1-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 1096579
N-[(2-methoxyphenyl)methyl]-1-quinolin-8-ylsulfonylpiperidine-4-carboxamide
CID 5308867
N-[(2-ethoxyphenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-4-carboxamide
CID 46775726
N-[(2-methoxyphenyl)methyl]-1-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-4-carboxamide
CID 53365247
N-[(2-ethoxyphenyl)methyl]-1-(5-pyrrol-1-yl-2-pyridinyl)piperidine-4-carboxamide
CID 46375169
4-(4-ethylpiperazine-1-carbonyl)-N-[(2-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 109147502
4-N-cyclohexyl-1-N-[(2-methoxyphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109146102

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphthalazin-1-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-ethoxyphthalazin-1-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 20887896) is 1-(4-ethoxyphthalazin-1-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-ethoxyphthalazin-1-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-ethoxyphthalazin-1-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide is CCOc1nnc(N2CCC(C(=O)NCc3ccccc3OC)CC2)c2ccccc12.
What is the InChIKey of 1-(4-ethoxyphthalazin-1-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is QPIIXSOZAXKUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-3-31-24-20-10-6-5-9-19(20)22(26-27-24)28-14-12-17(13-15-28)23(29)25-16-18-8-4-7-11-21(18)30-2/h4-11,17H,3,12-16H2,1-2H3,(H,25,29).
What are the key properties of 1-(4-ethoxyphthalazin-1-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-(4-ethoxyphthalazin-1-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphthalazin-1-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 20887896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).