1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide

C25H30N4O2 — CID 24817445

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(OC)c4)c3)CC2)cn1
InChIInChI=1S/C25H30N4O2/c1-3-29-18-19(16-26-29)17-28-12-10-20(11-13-28)25(30)27-23-8-4-6-21(14-23)22-7-5-9-24(15-22)31-2/h4-9,14-16,18,20H,3,10-13,17H2,1-2H3,(H,27,30)
InChIKeyBYDCDHHSAVMKPG-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.43
Rot. Bonds7

About 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide

1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide (PubChem CID 24817445) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
PubChem CID24817445
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(OC)c4)c3)CC2)cn1
InChIInChI=1S/C25H30N4O2/c1-3-29-18-19(16-26-29)17-28-12-10-20(11-13-28)25(30)27-23-8-4-6-21(14-23)22-7-5-9-24(15-22)31-2/h4-9,14-16,18,20H,3,10-13,17H2,1-2H3,(H,27,30)
InChIKeyBYDCDHHSAVMKPG-UHFFFAOYSA-N
XLogP4.43
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide (CID 24817445) is 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide is CCn1cc(CN2CCC(C(=O)Nc3cccc(-c4cccc(OC)c4)c3)CC2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide?
The InChIKey is BYDCDHHSAVMKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-3-29-18-19(16-26-29)17-28-12-10-20(11-13-28)25(30)27-23-8-4-6-21(14-23)22-7-5-9-24(15-22)31-2/h4-9,14-16,18,20H,3,10-13,17H2,1-2H3,(H,27,30).
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide?
1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-N-[3-(3-methoxyphenyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 24817445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).