[4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-phenoxyphenyl)methanone

C23H23N3O2 — CID 139416324

IUPAC[4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-phenoxyphenyl)methanone
SMILESNc1ccc(C2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)cn1
InChIInChI=1S/C23H23N3O2/c24-22-11-8-19(16-25-22)17-12-14-26(15-13-17)23(27)18-6-9-21(10-7-18)28-20-4-2-1-3-5-20/h1-11,16-17H,12-15H2,(H2,24,25)
InChIKeySXZFHBQKNJGRGW-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.48
Rot. Bonds4

About [4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-phenoxyphenyl)methanone

[4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-phenoxyphenyl)methanone (PubChem CID 139416324) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is [4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-phenoxyphenyl)methanone
PubChem CID139416324
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name[4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-phenoxyphenyl)methanone
SMILESNc1ccc(C2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)cn1
InChIInChI=1S/C23H23N3O2/c24-22-11-8-19(16-25-22)17-12-14-26(15-13-17)23(27)18-6-9-21(10-7-18)28-20-4-2-1-3-5-20/h1-11,16-17H,12-15H2,(H2,24,25)
InChIKeySXZFHBQKNJGRGW-UHFFFAOYSA-N
XLogP4.48
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(6-aminopyridazin-3-yl)piperidin-1-yl]-[4-(4-chlorophenoxy)phenyl]methanone
CID 139416304
[4-(6-aminopyridazin-3-yl)piperazin-1-yl]-[4-(4-cyclopropylphenoxy)phenyl]methanone
CID 139416326
(4-phenoxyphenyl)-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 71944089
(4-phenoxyphenyl)-piperidin-1-ylmethanone
CID 112759363
(4-phenoxyphenyl) 4-phenylpiperidine-1-carboxylate
CID 15225155
[4-[4-(dimethylamino)phenyl]piperidin-1-yl]-(5-phenoxy-2-pyridinyl)methanone
CID 166180817
methyl 1-(4-phenoxybenzoyl)piperidine-4-carboxylate
CID 26865644
[4-(4-phenoxybenzoyl)-1,4-diazepan-1-yl]-phenylmethanone
CID 36615147
(4-aminophenyl)-(4-phenoxypiperidin-1-yl)methanone;hydrochloride
CID 119725091
[4-(3-phenoxypyrazin-2-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95822311
(4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 55584193
[4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-methoxy-5-phenyl-2-pyridinyl)methanone;2,2,2-trifluoroacetic acid
CID 155411279

Frequently Asked Questions

What is the IUPAC name of [4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-phenoxyphenyl)methanone?
The IUPAC name of [4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-phenoxyphenyl)methanone (CID 139416324) is [4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-phenoxyphenyl)methanone.
What is the SMILES notation for [4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-phenoxyphenyl)methanone?
The canonical SMILES for [4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-phenoxyphenyl)methanone is Nc1ccc(C2CCN(C(=O)c3ccc(Oc4ccccc4)cc3)CC2)cn1.
What is the InChIKey of [4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-phenoxyphenyl)methanone?
The InChIKey is SXZFHBQKNJGRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c24-22-11-8-19(16-25-22)17-12-14-26(15-13-17)23(27)18-6-9-21(10-7-18)28-20-4-2-1-3-5-20/h1-11,16-17H,12-15H2,(H2,24,25).
What are the key properties of [4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-phenoxyphenyl)methanone?
[4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-phenoxyphenyl)methanone has a molecular weight of 373.46 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-amino-3-pyridinyl)piperidin-1-yl]-(4-phenoxyphenyl)methanone is sourced from PubChem (CID 139416324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).