4-methoxy-N-(1-phenylpyrazol-3-yl)piperidine-4-carboxamide

C16H20N4O2 — CID 119702679

IUPAC4-methoxy-N-(1-phenylpyrazol-3-yl)piperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2ccn(-c3ccccc3)n2)CCNCC1
InChIInChI=1S/C16H20N4O2/c1-22-16(8-10-17-11-9-16)15(21)18-14-7-12-20(19-14)13-5-3-2-4-6-13/h2-7,12,17H,8-11H2,1H3,(H,18,19,21)
InChIKeyRHFJCFRSIOLBGO-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.58
Rot. Bonds4

About 4-methoxy-N-(1-phenylpyrazol-3-yl)piperidine-4-carboxamide

4-methoxy-N-(1-phenylpyrazol-3-yl)piperidine-4-carboxamide (PubChem CID 119702679) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-methoxy-N-(1-phenylpyrazol-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(1-phenylpyrazol-3-yl)piperidine-4-carboxamide
PubChem CID119702679
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-methoxy-N-(1-phenylpyrazol-3-yl)piperidine-4-carboxamide
SMILESCOC1(C(=O)Nc2ccn(-c3ccccc3)n2)CCNCC1
InChIInChI=1S/C16H20N4O2/c1-22-16(8-10-17-11-9-16)15(21)18-14-7-12-20(19-14)13-5-3-2-4-6-13/h2-7,12,17H,8-11H2,1H3,(H,18,19,21)
InChIKeyRHFJCFRSIOLBGO-UHFFFAOYSA-N
XLogP1.58
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(1-phenylpyrazol-3-yl)piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-(1-phenylpyrazol-3-yl)piperidine-4-carboxamide (CID 119702679) is 4-methoxy-N-(1-phenylpyrazol-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-(1-phenylpyrazol-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-(1-phenylpyrazol-3-yl)piperidine-4-carboxamide is COC1(C(=O)Nc2ccn(-c3ccccc3)n2)CCNCC1.
What is the InChIKey of 4-methoxy-N-(1-phenylpyrazol-3-yl)piperidine-4-carboxamide?
The InChIKey is RHFJCFRSIOLBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-22-16(8-10-17-11-9-16)15(21)18-14-7-12-20(19-14)13-5-3-2-4-6-13/h2-7,12,17H,8-11H2,1H3,(H,18,19,21).
What are the key properties of 4-methoxy-N-(1-phenylpyrazol-3-yl)piperidine-4-carboxamide?
4-methoxy-N-(1-phenylpyrazol-3-yl)piperidine-4-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(1-phenylpyrazol-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 119702679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).