3-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-4-carboxamide

C18H24N4O3 — CID 121141419

IUPAC3-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1ccc(N2CCCC(OC)C2)cc1
InChIInChI=1S/C18H24N4O3/c1-21-12-16(18(20-21)25-3)17(23)19-13-6-8-14(9-7-13)22-10-4-5-15(11-22)24-2/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,19,23)
InChIKeyOIIIZZLQTMJTSP-UHFFFAOYSA-N
MW344.42 g/mol
LogP2.30
Rot. Bonds5

About 3-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-4-carboxamide

3-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-4-carboxamide (PubChem CID 121141419) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 3-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-4-carboxamide
PubChem CID121141419
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name3-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1ccc(N2CCCC(OC)C2)cc1
InChIInChI=1S/C18H24N4O3/c1-21-12-16(18(20-21)25-3)17(23)19-13-6-8-14(9-7-13)22-10-4-5-15(11-22)24-2/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,19,23)
InChIKeyOIIIZZLQTMJTSP-UHFFFAOYSA-N
XLogP2.30
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(3S)-3-methoxypiperidin-1-yl]phenyl]naphthalene-1-carboxamide
CID 97427824
2,3-dimethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141454
3-methoxy-1-methyl-N-[4-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazole-4-carboxamide
CID 121079992
2-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141493
4-bromo-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141656
1-(3,4-dichlorophenyl)-3-[4-(3-methoxypiperidin-1-yl)phenyl]urea
CID 121141708
4-(3,4-dichlorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141499
N-[4-(3-methoxypiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 121141464
2-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809546
2-(4-acetamidophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141569
3-(4-fluorophenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-5-carboxamide
CID 121141491
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2-oxochromene-3-carboxamide
CID 121141467

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-4-carboxamide (CID 121141419) is 3-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)Nc1ccc(N2CCCC(OC)C2)cc1.
What is the InChIKey of 3-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-4-carboxamide?
The InChIKey is OIIIZZLQTMJTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-21-12-16(18(20-21)25-3)17(23)19-13-6-8-14(9-7-13)22-10-4-5-15(11-22)24-2/h6-9,12,15H,4-5,10-11H2,1-3H3,(H,19,23).
What are the key properties of 3-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-4-carboxamide?
3-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 121141419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).