[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone

C23H25N3O2 — CID 59144976

IUPAC[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(CNCc2cccc(-c3ccco3)n2)CC1
InChIInChI=1S/C23H25N3O2/c27-23(19-6-2-1-3-7-19)26-13-11-18(12-14-26)16-24-17-20-8-4-9-21(25-20)22-10-5-15-28-22/h1-10,15,18,24H,11-14,16-17H2
InChIKeyXAXKLXXTOXJZAJ-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.98
Rot. Bonds6

About [4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone

[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone (PubChem CID 59144976) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is [4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone
PubChem CID59144976
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCC(CNCc2cccc(-c3ccco3)n2)CC1
InChIInChI=1S/C23H25N3O2/c27-23(19-6-2-1-3-7-19)26-13-11-18(12-14-26)16-24-17-20-8-4-9-21(25-20)22-10-5-15-28-22/h1-10,15,18,24H,11-14,16-17H2
InChIKeyXAXKLXXTOXJZAJ-UHFFFAOYSA-N
XLogP3.98
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone with MolForge

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-[6-(furan-2-yl)-2-methyl-3-pyridinyl]methanone;dihydrochloride
CID 119645055
(3,4-dichlorophenyl)-[4-[[[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 19361760
[4-(methylaminomethyl)piperidin-1-yl]-phenylmethanone
CID 22983162
(3-methylphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10644061
(3,4-dichlorophenyl)-[4-[[[6-(dimethylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10550097
1-cyclopropyl-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]methanamine
CID 115593190
[1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 41308568
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 119645557
[3-(furan-2-yl)phenyl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70755983
(4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride
CID 119375996
N-[[1-[6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]piperidin-4-yl]methyl]acetamide
CID 55781182

Frequently Asked Questions

What is the IUPAC name of [4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone (CID 59144976) is [4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCC(CNCc2cccc(-c3ccco3)n2)CC1.
What is the InChIKey of [4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone?
The InChIKey is XAXKLXXTOXJZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c27-23(19-6-2-1-3-7-19)26-13-11-18(12-14-26)16-24-17-20-8-4-9-21(25-20)22-10-5-15-28-22/h1-10,15,18,24H,11-14,16-17H2.
What are the key properties of [4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone?
[4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone has a molecular weight of 375.47 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[6-(furan-2-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 59144976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).