4-phenoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide

C20H21N5O2 — CID 127038603

IUPAC4-phenoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccn2)[nH]n1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C20H21N5O2/c26-20(22-19-14-18(23-24-19)17-8-4-5-11-21-17)25-12-9-16(10-13-25)27-15-6-2-1-3-7-15/h1-8,11,14,16H,9-10,12-13H2,(H2,22,23,24,26)
InChIKeyYEFBQZRVYZLMNP-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.55
Rot. Bonds4

About 4-phenoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide

4-phenoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide (PubChem CID 127038603) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 4-phenoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-phenoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide
PubChem CID127038603
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name4-phenoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccn2)[nH]n1)N1CCC(Oc2ccccc2)CC1
InChIInChI=1S/C20H21N5O2/c26-20(22-19-14-18(23-24-19)17-8-4-5-11-21-17)25-12-9-16(10-13-25)27-15-6-2-1-3-7-15/h1-8,11,14,16H,9-10,12-13H2,(H2,22,23,24,26)
InChIKeyYEFBQZRVYZLMNP-UHFFFAOYSA-N
XLogP3.55
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide?
The IUPAC name of 4-phenoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide (CID 127038603) is 4-phenoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide.
What is the SMILES notation for 4-phenoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide?
The canonical SMILES for 4-phenoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide is O=C(Nc1cc(-c2ccccn2)[nH]n1)N1CCC(Oc2ccccc2)CC1.
What is the InChIKey of 4-phenoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide?
The InChIKey is YEFBQZRVYZLMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-20(22-19-14-18(23-24-19)17-8-4-5-11-21-17)25-12-9-16(10-13-25)27-15-6-2-1-3-7-15/h1-8,11,14,16H,9-10,12-13H2,(H2,22,23,24,26).
What are the key properties of 4-phenoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide?
4-phenoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidine-1-carboxamide is sourced from PubChem (CID 127038603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).