N-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-3-ylacetamide

C22H27N3O2 — CID 155555041

IUPACN-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)Nc1ccc(OC2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C22H27N3O2/c26-22(15-17-3-2-12-23-16-17)24-18-6-8-20(9-7-18)27-21-10-13-25(14-11-21)19-4-1-5-19/h2-3,6-9,12,16,19,21H,1,4-5,10-11,13-15H2,(H,24,26)
InChIKeyAPHKDLBPPPYVQT-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.66
Rot. Bonds6

About N-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-3-ylacetamide

N-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-3-ylacetamide (PubChem CID 155555041) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is N-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-3-ylacetamide
PubChem CID155555041
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC NameN-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-3-ylacetamide
SMILESO=C(Cc1cccnc1)Nc1ccc(OC2CCN(C3CCC3)CC2)cc1
InChIInChI=1S/C22H27N3O2/c26-22(15-17-3-2-12-23-16-17)24-18-6-8-20(9-7-18)27-21-10-13-25(14-11-21)19-4-1-5-19/h2-3,6-9,12,16,19,21H,1,4-5,10-11,13-15H2,(H,24,26)
InChIKeyAPHKDLBPPPYVQT-UHFFFAOYSA-N
XLogP3.66
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-3-ylacetamide?
The IUPAC name of N-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-3-ylacetamide (CID 155555041) is N-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-3-ylacetamide is O=C(Cc1cccnc1)Nc1ccc(OC2CCN(C3CCC3)CC2)cc1.
What is the InChIKey of N-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-3-ylacetamide?
The InChIKey is APHKDLBPPPYVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-22(15-17-3-2-12-23-16-17)24-18-6-8-20(9-7-18)27-21-10-13-25(14-11-21)19-4-1-5-19/h2-3,6-9,12,16,19,21H,1,4-5,10-11,13-15H2,(H,24,26).
What are the key properties of N-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-3-ylacetamide?
N-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-3-ylacetamide has a molecular weight of 365.48 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-cyclobutylpiperidin-4-yl)oxyphenyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 155555041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).