1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-phenylpiperidine-4-carboxamide

C19H26N4O — CID 136568444

IUPAC1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-phenylpiperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(N)=O)(c3ccccc3)CC2)c(C)n1
InChIInChI=1S/C19H26N4O/c1-3-23-14-16(15(2)21-23)13-22-11-9-19(10-12-22,18(20)24)17-7-5-4-6-8-17/h4-8,14H,3,9-13H2,1-2H3,(H2,20,24)
InChIKeyKGIKOJGFXHUXFI-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.23
Rot. Bonds5

About 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-phenylpiperidine-4-carboxamide

1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-phenylpiperidine-4-carboxamide (PubChem CID 136568444) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-phenylpiperidine-4-carboxamide
PubChem CID136568444
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-phenylpiperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(N)=O)(c3ccccc3)CC2)c(C)n1
InChIInChI=1S/C19H26N4O/c1-3-23-14-16(15(2)21-23)13-22-11-9-19(10-12-22,18(20)24)17-7-5-4-6-8-17/h4-8,14H,3,9-13H2,1-2H3,(H2,20,24)
InChIKeyKGIKOJGFXHUXFI-UHFFFAOYSA-N
XLogP2.23
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-phenylpiperidine-4-carboxamide (CID 136568444) is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-phenylpiperidine-4-carboxamide is CCn1cc(CN2CCC(C(N)=O)(c3ccccc3)CC2)c(C)n1.
What is the InChIKey of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is KGIKOJGFXHUXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-3-23-14-16(15(2)21-23)13-22-11-9-19(10-12-22,18(20)24)17-7-5-4-6-8-17/h4-8,14H,3,9-13H2,1-2H3,(H2,20,24).
What are the key properties of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-phenylpiperidine-4-carboxamide?
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 136568444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).