1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide

C24H29N5O2 — CID 24791328

IUPAC1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)c(C)n1
InChIInChI=1S/C24H29N5O2/c1-3-29-17-20(18(2)27-29)16-28-13-10-19(11-14-28)24(30)26-21-6-8-22(9-7-21)31-23-5-4-12-25-15-23/h4-9,12,15,17,19H,3,10-11,13-14,16H2,1-2H3,(H,26,30)
InChIKeyJPOIQFGDGJZUTB-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.25
Rot. Bonds7

About 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide

1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide (PubChem CID 24791328) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
PubChem CID24791328
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)c(C)n1
InChIInChI=1S/C24H29N5O2/c1-3-29-17-20(18(2)27-29)16-28-13-10-19(11-14-28)24(30)26-21-6-8-22(9-7-21)31-23-5-4-12-25-15-23/h4-9,12,15,17,19H,3,10-11,13-14,16H2,1-2H3,(H,26,30)
InChIKeyJPOIQFGDGJZUTB-UHFFFAOYSA-N
XLogP4.25
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.25
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-methylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide (CID 24791328) is 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide is CCn1cc(CN2CCC(C(=O)Nc3ccc(Oc4cccnc4)cc3)CC2)c(C)n1.
What is the InChIKey of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The InChIKey is JPOIQFGDGJZUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-3-29-17-20(18(2)27-29)16-28-13-10-19(11-14-28)24(30)26-21-6-8-22(9-7-21)31-23-5-4-12-25-15-23/h4-9,12,15,17,19H,3,10-11,13-14,16H2,1-2H3,(H,26,30).
What are the key properties of 1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 4.25, 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-methylpyrazol-4-yl)methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 24791328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).