[4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride

C17H21ClN2O3 — CID 119561915

IUPAC[4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1.Cl
InChIInChI=1S/C17H20N2O3.ClH/c1-18-13-9-11-19(12-10-13)17(20)15-7-8-16(22-15)21-14-5-3-2-4-6-14;/h2-8,13,18H,9-12H2,1H3;1H
InChIKeySDGFCEWOBZQAOS-UHFFFAOYSA-N
MW336.82 g/mol
LogP3.32
Rot. Bonds4

About [4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride

[4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride (PubChem CID 119561915) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is [4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
PubChem CID119561915
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name[4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
SMILESCNC1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1.Cl
InChIInChI=1S/C17H20N2O3.ClH/c1-18-13-9-11-19(12-10-13)17(20)15-7-8-16(22-15)21-14-5-3-2-4-6-14;/h2-8,13,18H,9-12H2,1H3;1H
InChIKeySDGFCEWOBZQAOS-UHFFFAOYSA-N
XLogP3.32
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
CID 119650374
[(3S,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone
CID 56891178
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone
CID 119650375
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119560231
(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)-(5-phenoxyfuran-2-yl)methanone
CID 166216191
1,4-diazepan-1-yl-(5-phenoxyfuran-2-yl)methanone
CID 119416420
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
CID 120657669
(5-bromofuran-2-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560232
(2R)-1-(5-phenoxyfuran-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119370875
[5-(2-fluorophenyl)furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119560350
[(3S)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-(5-phenoxyfuran-2-yl)methanone
CID 95885617
N-(4-aminocyclohexyl)-5-phenoxyfuran-2-carboxamide;hydrochloride
CID 119476761

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride?
The IUPAC name of [4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride (CID 119561915) is [4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride?
The canonical SMILES for [4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride is CNC1CCN(C(=O)c2ccc(Oc3ccccc3)o2)CC1.Cl.
What is the InChIKey of [4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride?
The InChIKey is SDGFCEWOBZQAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3.ClH/c1-18-13-9-11-19(12-10-13)17(20)15-7-8-16(22-15)21-14-5-3-2-4-6-14;/h2-8,13,18H,9-12H2,1H3;1H.
What are the key properties of [4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride?
[4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride has a molecular weight of 336.82 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)piperidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119561915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).