(3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride

C11H17ClN2O2 — CID 119377765

IUPAC(3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride
SMILESCc1ccoc1C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-8-4-6-15-10(8)11(14)13-5-2-3-9(12)7-13;/h4,6,9H,2-3,5,7,12H2,1H3;1H
InChIKeyRXZAZBBHDVBOSA-UHFFFAOYSA-N
MW244.72 g/mol
LogP1.57
Rot. Bonds1

About (3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride

(3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride (PubChem CID 119377765) has the molecular formula C11H17ClN2O2 and a molecular weight of 244.72 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride
PubChem CID119377765
Molecular FormulaC11H17ClN2O2
Molecular Weight244.72 g/mol
Exact Mass244.10
IUPAC Name(3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride
SMILESCc1ccoc1C(=O)N1CCCC(N)C1.Cl
InChIInChI=1S/C11H16N2O2.ClH/c1-8-4-6-15-10(8)11(14)13-5-2-3-9(12)7-13;/h4,6,9H,2-3,5,7,12H2,1H3;1H
InChIKeyRXZAZBBHDVBOSA-UHFFFAOYSA-N
XLogP1.57
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloropiperidin-1-yl)-(3-methylfuran-2-yl)methanone
CID 63393139
[3-(2-chloroethyl)piperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 63396186
N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47180844
(3-aminopiperidin-1-yl)-(3,5-dimethylfuran-2-yl)methanone;hydrochloride
CID 119378232
[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 51329391
2-(3-aminopiperidine-1-carbonyl)-3,6-dimethylbenzoic acid
CID 103428976
(3-aminopiperidin-1-yl)-(3,4-dimethylphenyl)methanone;hydrochloride
CID 119381443
[(3S,5R)-3,5-dimethylpiperidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 94182752
(3-methylfuran-2-yl)-[3-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 86768617
1-(3-methylfuran-2-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 43035253
1-(3-methylfuran-2-carbonyl)piperidine-4-carboxamide
CID 32823446
(3-aminopiperidin-1-yl)-[3-(benzenesulfonylmethyl)furan-2-yl]methanone
CID 119380119

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride?
The IUPAC name of (3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride (CID 119377765) is (3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride.
What is the SMILES notation for (3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride?
The canonical SMILES for (3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride is Cc1ccoc1C(=O)N1CCCC(N)C1.Cl.
What is the InChIKey of (3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride?
The InChIKey is RXZAZBBHDVBOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2.ClH/c1-8-4-6-15-10(8)11(14)13-5-2-3-9(12)7-13;/h4,6,9H,2-3,5,7,12H2,1H3;1H.
What are the key properties of (3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride?
(3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride has a molecular weight of 244.72 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-(3-methylfuran-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119377765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).