4-[4-(2-ethoxy-3-pyridinyl)phenyl]piperidine-4-carboxamide

C19H23N3O2 — CID 175884775

IUPAC4-[4-(2-ethoxy-3-pyridinyl)phenyl]piperidine-4-carboxamide
SMILESCCOc1ncccc1-c1ccc(C2(C(N)=O)CCNCC2)cc1
InChIInChI=1S/C19H23N3O2/c1-2-24-17-16(4-3-11-22-17)14-5-7-15(8-6-14)19(18(20)23)9-12-21-13-10-19/h3-8,11,21H,2,9-10,12-13H2,1H3,(H2,20,23)
InChIKeyXAQJUYWYOFVVMH-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.25
Rot. Bonds5

About 4-[4-(2-ethoxy-3-pyridinyl)phenyl]piperidine-4-carboxamide

4-[4-(2-ethoxy-3-pyridinyl)phenyl]piperidine-4-carboxamide (PubChem CID 175884775) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[4-(2-ethoxy-3-pyridinyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-[4-(2-ethoxy-3-pyridinyl)phenyl]piperidine-4-carboxamide
PubChem CID175884775
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-[4-(2-ethoxy-3-pyridinyl)phenyl]piperidine-4-carboxamide
SMILESCCOc1ncccc1-c1ccc(C2(C(N)=O)CCNCC2)cc1
InChIInChI=1S/C19H23N3O2/c1-2-24-17-16(4-3-11-22-17)14-5-7-15(8-6-14)19(18(20)23)9-12-21-13-10-19/h3-8,11,21H,2,9-10,12-13H2,1H3,(H2,20,23)
InChIKeyXAQJUYWYOFVVMH-UHFFFAOYSA-N
XLogP2.25
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 25263327
CID 25263327
CID 25263328
CID 25263328
CID 25263333
CID 25263333
CID 25263334
CID 25263334
CID 25263340
CID 25263340
CID 168280932
CID 168280932
CID 24993174
CID 24993174
CID 45487723
CID 45487723
CID 45487734
CID 45487734
CID 71201914
CID 71201914
CID 121452784
CID 121452784
CID 1396628
CID 1396628

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-ethoxy-3-pyridinyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 4-[4-(2-ethoxy-3-pyridinyl)phenyl]piperidine-4-carboxamide (CID 175884775) is 4-[4-(2-ethoxy-3-pyridinyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-[4-(2-ethoxy-3-pyridinyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 4-[4-(2-ethoxy-3-pyridinyl)phenyl]piperidine-4-carboxamide is CCOc1ncccc1-c1ccc(C2(C(N)=O)CCNCC2)cc1.
What is the InChIKey of 4-[4-(2-ethoxy-3-pyridinyl)phenyl]piperidine-4-carboxamide?
The InChIKey is XAQJUYWYOFVVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-24-17-16(4-3-11-22-17)14-5-7-15(8-6-14)19(18(20)23)9-12-21-13-10-19/h3-8,11,21H,2,9-10,12-13H2,1H3,(H2,20,23).
What are the key properties of 4-[4-(2-ethoxy-3-pyridinyl)phenyl]piperidine-4-carboxamide?
4-[4-(2-ethoxy-3-pyridinyl)phenyl]piperidine-4-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-ethoxy-3-pyridinyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 175884775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).