4-[[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide

C19H21N3O3 — CID 166076228

IUPAC4-[[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(=Cc2cccc(Oc3ccc(CO)cn3)c2)CC1
InChIInChI=1S/C19H21N3O3/c20-19(24)22-8-6-14(7-9-22)10-15-2-1-3-17(11-15)25-18-5-4-16(13-23)12-21-18/h1-5,10-12,23H,6-9,13H2,(H2,20,24)
InChIKeyMQAUUCFSHIZMIK-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.92
Rot. Bonds4

About 4-[[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide

4-[[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide (PubChem CID 166076228) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 4-[[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
PubChem CID166076228
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name4-[[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide
SMILESNC(=O)N1CCC(=Cc2cccc(Oc3ccc(CO)cn3)c2)CC1
InChIInChI=1S/C19H21N3O3/c20-19(24)22-8-6-14(7-9-22)10-15-2-1-3-17(11-15)25-18-5-4-16(13-23)12-21-18/h1-5,10-12,23H,6-9,13H2,(H2,20,24)
InChIKeyMQAUUCFSHIZMIK-UHFFFAOYSA-N
XLogP2.92
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The IUPAC name of 4-[[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide (CID 166076228) is 4-[[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide.
What is the SMILES notation for 4-[[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The canonical SMILES for 4-[[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide is NC(=O)N1CCC(=Cc2cccc(Oc3ccc(CO)cn3)c2)CC1.
What is the InChIKey of 4-[[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
The InChIKey is MQAUUCFSHIZMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c20-19(24)22-8-6-14(7-9-22)10-15-2-1-3-17(11-15)25-18-5-4-16(13-23)12-21-18/h1-5,10-12,23H,6-9,13H2,(H2,20,24).
What are the key properties of 4-[[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide?
4-[[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide is sourced from PubChem (CID 166076228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).