4-phenoxy-N-piperidin-4-yl-N-propylpyridine-2-carboxamide

C20H25N3O2 — CID 119825107

IUPAC4-phenoxy-N-piperidin-4-yl-N-propylpyridine-2-carboxamide
SMILESCCCN(C(=O)c1cc(Oc2ccccc2)ccn1)C1CCNCC1
InChIInChI=1S/C20H25N3O2/c1-2-14-23(16-8-11-21-12-9-16)20(24)19-15-18(10-13-22-19)25-17-6-4-3-5-7-17/h3-7,10,13,15-16,21H,2,8-9,11-12,14H2,1H3
InChIKeyUJJHNGIRPAYSIO-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.48
Rot. Bonds6

About 4-phenoxy-N-piperidin-4-yl-N-propylpyridine-2-carboxamide

4-phenoxy-N-piperidin-4-yl-N-propylpyridine-2-carboxamide (PubChem CID 119825107) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 4-phenoxy-N-piperidin-4-yl-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-phenoxy-N-piperidin-4-yl-N-propylpyridine-2-carboxamide
PubChem CID119825107
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name4-phenoxy-N-piperidin-4-yl-N-propylpyridine-2-carboxamide
SMILESCCCN(C(=O)c1cc(Oc2ccccc2)ccn1)C1CCNCC1
InChIInChI=1S/C20H25N3O2/c1-2-14-23(16-8-11-21-12-9-16)20(24)19-15-18(10-13-22-19)25-17-6-4-3-5-7-17/h3-7,10,13,15-16,21H,2,8-9,11-12,14H2,1H3
InChIKeyUJJHNGIRPAYSIO-UHFFFAOYSA-N
XLogP3.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenoxy-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
CID 119531895
N-methyl-4-phenoxy-N-piperidin-4-ylpyridine-2-carboxamide
CID 119443292
3-chloro-N-piperidin-4-yl-N-propyl-4-pyridin-4-yloxybenzamide
CID 119824694
3-(2-methoxyethoxy)-N-piperidin-4-yl-N-propylbenzamide
CID 119822999
N-piperidin-4-yl-N-propylpyridine-4-carboxamide
CID 54923494
3-[piperidin-4-yl(propyl)carbamoyl]benzoic acid
CID 61408528
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-piperidin-4-yl-N-propylbenzamide
CID 119825259
4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide
CID 43270432
5-phenyl-N-piperidin-4-yl-N-propylpyridine-3-carboxamide
CID 119824704
2-benzyl-N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide
CID 119823662
2-phenyl-N-piperidin-4-yl-N-propyltriazole-4-carboxamide
CID 119825765
2-methyl-N-propyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 106753627

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-piperidin-4-yl-N-propylpyridine-2-carboxamide?
The IUPAC name of 4-phenoxy-N-piperidin-4-yl-N-propylpyridine-2-carboxamide (CID 119825107) is 4-phenoxy-N-piperidin-4-yl-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 4-phenoxy-N-piperidin-4-yl-N-propylpyridine-2-carboxamide?
The canonical SMILES for 4-phenoxy-N-piperidin-4-yl-N-propylpyridine-2-carboxamide is CCCN(C(=O)c1cc(Oc2ccccc2)ccn1)C1CCNCC1.
What is the InChIKey of 4-phenoxy-N-piperidin-4-yl-N-propylpyridine-2-carboxamide?
The InChIKey is UJJHNGIRPAYSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-2-14-23(16-8-11-21-12-9-16)20(24)19-15-18(10-13-22-19)25-17-6-4-3-5-7-17/h3-7,10,13,15-16,21H,2,8-9,11-12,14H2,1H3.
What are the key properties of 4-phenoxy-N-piperidin-4-yl-N-propylpyridine-2-carboxamide?
4-phenoxy-N-piperidin-4-yl-N-propylpyridine-2-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-piperidin-4-yl-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 119825107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).