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

C23H27N5O2 — CID 24792988

IUPAC1-[(1-ethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4)nc3)CC2)cn1
InChIInChI=1S/C23H27N5O2/c1-2-28-17-18(14-25-28)16-27-12-10-19(11-13-27)23(29)26-20-8-9-22(24-15-20)30-21-6-4-3-5-7-21/h3-9,14-15,17,19H,2,10-13,16H2,1H3,(H,26,29)
InChIKeyPRHOKZORGFZPSR-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.94
Rot. Bonds7

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

1-[(1-ethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide (PubChem CID 24792988) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-[(1-ethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(1-ethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
PubChem CID24792988
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-[(1-ethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
SMILESCCn1cc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4)nc3)CC2)cn1
InChIInChI=1S/C23H27N5O2/c1-2-28-17-18(14-25-28)16-27-12-10-19(11-13-27)23(29)26-20-8-9-22(24-15-20)30-21-6-4-3-5-7-21/h3-9,14-15,17,19H,2,10-13,16H2,1H3,(H,26,29)
InChIKeyPRHOKZORGFZPSR-UHFFFAOYSA-N
XLogP3.94
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(1-ethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(1-ethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide (CID 24792988) is 1-[(1-ethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(1-ethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(1-ethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide is CCn1cc(CN2CCC(C(=O)Nc3ccc(Oc4ccccc4)nc3)CC2)cn1.
What is the InChIKey of 1-[(1-ethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide?
The InChIKey is PRHOKZORGFZPSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-2-28-17-18(14-25-28)16-27-12-10-19(11-13-27)23(29)26-20-8-9-22(24-15-20)30-21-6-4-3-5-7-21/h3-9,14-15,17,19H,2,10-13,16H2,1H3,(H,26,29).
What are the key properties of 1-[(1-ethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide?
1-[(1-ethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrazol-4-yl)methyl]-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 24792988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).