[3-methyl-4-[(5-methylfuran-2-yl)methylamino]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone

C20H26N2O2 — CID 100623753

IUPAC[3-methyl-4-[(5-methylfuran-2-yl)methylamino]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCc1ccc(CNc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)o1
InChIInChI=1S/C20H26N2O2/c1-14-12-17(20(23)22-11-5-4-6-15(22)2)8-10-19(14)21-13-18-9-7-16(3)24-18/h7-10,12,15,21H,4-6,11,13H2,1-3H3/t15-/m1/s1
InChIKeyCAJAREAUWWJJOO-OAHLLOKOSA-N
MW326.44 g/mol
LogP4.52
Rot. Bonds4

About [3-methyl-4-[(5-methylfuran-2-yl)methylamino]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone

[3-methyl-4-[(5-methylfuran-2-yl)methylamino]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone (PubChem CID 100623753) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is [3-methyl-4-[(5-methylfuran-2-yl)methylamino]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[3-methyl-4-[(5-methylfuran-2-yl)methylamino]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
PubChem CID100623753
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name[3-methyl-4-[(5-methylfuran-2-yl)methylamino]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
SMILESCc1ccc(CNc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)o1
InChIInChI=1S/C20H26N2O2/c1-14-12-17(20(23)22-11-5-4-6-15(22)2)8-10-19(14)21-13-18-9-7-16(3)24-18/h7-10,12,15,21H,4-6,11,13H2,1-3H3/t15-/m1/s1
InChIKeyCAJAREAUWWJJOO-OAHLLOKOSA-N
XLogP4.52
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-methyl-4-[(5-methylfuran-2-yl)methylamino]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone with MolForge

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Related Compounds

2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]acetamide
CID 119305940
(2-methylpiperidin-1-yl)-[3-methyl-4-[(4-pyrazol-1-ylphenyl)methylamino]phenyl]methanone
CID 119038941
2-amino-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120790160
[3-amino-4-(butylamino)phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 156640770
5-[[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119113859
(3R)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]-1,1-dioxothiolane-3-carboxamide
CID 95279539
4-amino-3-methoxy-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]butanamide
CID 120590472
[4-(ethylamino)-3-methylphenyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116637923
4-[[5-(hydroxymethyl)furan-2-yl]methylamino]-3-methylbenzoic acid
CID 64578614
2-(diethylamino)-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-phenylacetamide
CID 56580263
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methyl-4-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]propanamide
CID 95139458
2-methyl-N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylsulfanylpropanamide
CID 86933803

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-[(5-methylfuran-2-yl)methylamino]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The IUPAC name of [3-methyl-4-[(5-methylfuran-2-yl)methylamino]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone (CID 100623753) is [3-methyl-4-[(5-methylfuran-2-yl)methylamino]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone.
What is the SMILES notation for [3-methyl-4-[(5-methylfuran-2-yl)methylamino]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The canonical SMILES for [3-methyl-4-[(5-methylfuran-2-yl)methylamino]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone is Cc1ccc(CNc2ccc(C(=O)N3CCCC[C@H]3C)cc2C)o1.
What is the InChIKey of [3-methyl-4-[(5-methylfuran-2-yl)methylamino]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone?
The InChIKey is CAJAREAUWWJJOO-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-14-12-17(20(23)22-11-5-4-6-15(22)2)8-10-19(14)21-13-18-9-7-16(3)24-18/h7-10,12,15,21H,4-6,11,13H2,1-3H3/t15-/m1/s1.
What are the key properties of [3-methyl-4-[(5-methylfuran-2-yl)methylamino]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone?
[3-methyl-4-[(5-methylfuran-2-yl)methylamino]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone has a molecular weight of 326.44 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-[(5-methylfuran-2-yl)methylamino]phenyl]-[(2R)-2-methylpiperidin-1-yl]methanone is sourced from PubChem (CID 100623753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).