1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide

C23H27N5O2 — CID 24791379

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
SMILESCc1c(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4)nc3)CC2)cnn1C
InChIInChI=1S/C23H27N5O2/c1-17-19(14-25-27(17)2)16-28-12-10-18(11-13-28)23(29)26-20-8-9-22(24-15-20)30-21-6-4-3-5-7-21/h3-9,14-15,18H,10-13,16H2,1-2H3,(H,26,29)
InChIKeyJFFSHBGEVRNHIE-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.77
Rot. Bonds6

About 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide

1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide (PubChem CID 24791379) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
PubChem CID24791379
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
SMILESCc1c(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4)nc3)CC2)cnn1C
InChIInChI=1S/C23H27N5O2/c1-17-19(14-25-27(17)2)16-28-12-10-18(11-13-28)23(29)26-20-8-9-22(24-15-20)30-21-6-4-3-5-7-21/h3-9,14-15,18H,10-13,16H2,1-2H3,(H,26,29)
InChIKeyJFFSHBGEVRNHIE-UHFFFAOYSA-N
XLogP3.77
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide (CID 24791379) is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide is Cc1c(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4)nc3)CC2)cnn1C.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide?
The InChIKey is JFFSHBGEVRNHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-17-19(14-25-27(17)2)16-28-12-10-18(11-13-28)23(29)26-20-8-9-22(24-15-20)30-21-6-4-3-5-7-21/h3-9,14-15,18H,10-13,16H2,1-2H3,(H,26,29).
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide?
1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 24791379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).