4-cyclobutyl-4-hydroxy-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboxamide

C23H29N3O3 — CID 166255192

IUPAC4-cyclobutyl-4-hydroxy-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NCc1cccc(OCc2ccccn2)c1)N1CCC(O)(C2CCC2)CC1
InChIInChI=1S/C23H29N3O3/c27-22(26-13-10-23(28,11-14-26)19-6-4-7-19)25-16-18-5-3-9-21(15-18)29-17-20-8-1-2-12-24-20/h1-3,5,8-9,12,15,19,28H,4,6-7,10-11,13-14,16-17H2,(H,25,27)
InChIKeyVQDUXCSDPLCBIY-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.50
Rot. Bonds6

About 4-cyclobutyl-4-hydroxy-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboxamide

4-cyclobutyl-4-hydroxy-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboxamide (PubChem CID 166255192) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 4-cyclobutyl-4-hydroxy-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-cyclobutyl-4-hydroxy-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboxamide
PubChem CID166255192
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name4-cyclobutyl-4-hydroxy-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboxamide
SMILESO=C(NCc1cccc(OCc2ccccn2)c1)N1CCC(O)(C2CCC2)CC1
InChIInChI=1S/C23H29N3O3/c27-22(26-13-10-23(28,11-14-26)19-6-4-7-19)25-16-18-5-3-9-21(15-18)29-17-20-8-1-2-12-24-20/h1-3,5,8-9,12,15,19,28H,4,6-7,10-11,13-14,16-17H2,(H,25,27)
InChIKeyVQDUXCSDPLCBIY-UHFFFAOYSA-N
XLogP3.50
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78875900
1-pyrazin-2-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 55712011
1-(4-chlorobenzoyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 55709282
4-ethoxy-N'-methyl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboximidamide
CID 111959083
(3aS,6aR)-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122045263
5-oxo-5-[[3-(pyridin-2-ylmethoxy)phenyl]methylamino]pent-2-enoic acid
CID 75134507
1-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methyl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111568569
1-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-2-carboxylic acid
CID 91843758
2-(2,6-dimethylphenoxy)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46478039
(1R,5R)-9-pyridin-3-yl-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-3-azabicyclo[3.3.1]nonan-9-ol
CID 98063916
2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467326
2-[(4-fluorophenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467325

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-4-hydroxy-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-cyclobutyl-4-hydroxy-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboxamide (CID 166255192) is 4-cyclobutyl-4-hydroxy-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-cyclobutyl-4-hydroxy-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-cyclobutyl-4-hydroxy-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboxamide is O=C(NCc1cccc(OCc2ccccn2)c1)N1CCC(O)(C2CCC2)CC1.
What is the InChIKey of 4-cyclobutyl-4-hydroxy-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboxamide?
The InChIKey is VQDUXCSDPLCBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c27-22(26-13-10-23(28,11-14-26)19-6-4-7-19)25-16-18-5-3-9-21(15-18)29-17-20-8-1-2-12-24-20/h1-3,5,8-9,12,15,19,28H,4,6-7,10-11,13-14,16-17H2,(H,25,27).
What are the key properties of 4-cyclobutyl-4-hydroxy-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboxamide?
4-cyclobutyl-4-hydroxy-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-4-hydroxy-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 166255192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).