1-[4-[(2-phenoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone

C19H23N3O2 — CID 42518073

IUPAC1-[4-[(2-phenoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2cccnc2Oc2ccccc2)CC1
InChIInChI=1S/C19H23N3O2/c1-15(23)22-12-9-17(10-13-22)21-14-16-6-5-11-20-19(16)24-18-7-3-2-4-8-18/h2-8,11,17,21H,9-10,12-14H2,1H3
InChIKeyHXFFBQCOWXQNIZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.97
Rot. Bonds5

About 1-[4-[(2-phenoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone

1-[4-[(2-phenoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone (PubChem CID 42518073) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[4-[(2-phenoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-phenoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
PubChem CID42518073
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[4-[(2-phenoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCc2cccnc2Oc2ccccc2)CC1
InChIInChI=1S/C19H23N3O2/c1-15(23)22-12-9-17(10-13-22)21-14-16-6-5-11-20-19(16)24-18-7-3-2-4-8-18/h2-8,11,17,21H,9-10,12-14H2,1H3
InChIKeyHXFFBQCOWXQNIZ-UHFFFAOYSA-N
XLogP2.97
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2-methoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone
CID 60762093
N-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62296410
1-[4-(2-phenoxyethylamino)piperidin-1-yl]ethanone
CID 54941279
N-[[2-(3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62297749
N-methyl-1-(2-phenoxy-3-pyridinyl)methanamine
CID 53185088
(2S)-5-oxo-N-[(2-phenoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 25288592
N-[(2-methoxy-3-pyridinyl)methyl]cyclopropanamine
CID 62292464
N-[[2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 63984255
1-[4-[(2-propan-2-yloxyphenyl)methylamino]piperidin-1-yl]ethanone
CID 43224279
N-[(2-phenoxy-3-pyridinyl)methyl]propan-1-amine
CID 62295599
1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-1-propylpiperidin-4-amine
CID 29086962

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-phenoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2-phenoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone (CID 42518073) is 1-[4-[(2-phenoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2-phenoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2-phenoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCc2cccnc2Oc2ccccc2)CC1.
What is the InChIKey of 1-[4-[(2-phenoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone?
The InChIKey is HXFFBQCOWXQNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-15(23)22-12-9-17(10-13-22)21-14-16-6-5-11-20-19(16)24-18-7-3-2-4-8-18/h2-8,11,17,21H,9-10,12-14H2,1H3.
What are the key properties of 1-[4-[(2-phenoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone?
1-[4-[(2-phenoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone has a molecular weight of 325.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-phenoxy-3-pyridinyl)methylamino]piperidin-1-yl]ethanone is sourced from PubChem (CID 42518073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).