1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide

C25H31N5O2 — CID 24819287

IUPAC1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
SMILESCCn1nc(C)c(CN2CCCCC2C(=O)Nc2ccc(Oc3cccnc3)cc2)c1C
InChIInChI=1S/C25H31N5O2/c1-4-30-19(3)23(18(2)28-30)17-29-15-6-5-9-24(29)25(31)27-20-10-12-21(13-11-20)32-22-8-7-14-26-16-22/h7-8,10-14,16,24H,4-6,9,15,17H2,1-3H3,(H,27,31)
InChIKeyDCZWHELFSBZJJC-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.70
Rot. Bonds7

About 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide

1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide (PubChem CID 24819287) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
PubChem CID24819287
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
SMILESCCn1nc(C)c(CN2CCCCC2C(=O)Nc2ccc(Oc3cccnc3)cc2)c1C
InChIInChI=1S/C25H31N5O2/c1-4-30-19(3)23(18(2)28-30)17-29-15-6-5-9-24(29)25(31)27-20-10-12-21(13-11-20)32-22-8-7-14-26-16-22/h7-8,10-14,16,24H,4-6,9,15,17H2,1-3H3,(H,27,31)
InChIKeyDCZWHELFSBZJJC-UHFFFAOYSA-N
XLogP4.70
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide?
The IUPAC name of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide (CID 24819287) is 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide?
The canonical SMILES for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide is CCn1nc(C)c(CN2CCCCC2C(=O)Nc2ccc(Oc3cccnc3)cc2)c1C.
What is the InChIKey of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide?
The InChIKey is DCZWHELFSBZJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-4-30-19(3)23(18(2)28-30)17-29-15-6-5-9-24(29)25(31)27-20-10-12-21(13-11-20)32-22-8-7-14-26-16-22/h7-8,10-14,16,24H,4-6,9,15,17H2,1-3H3,(H,27,31).
What are the key properties of 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide?
1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide is sourced from PubChem (CID 24819287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).