1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride

C19H25ClN2O2 — CID 119373948

IUPAC1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
SMILESCOc1ccc2cc(C(C)C(=O)N3CCC(N)CC3)ccc2c1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-13(19(22)21-9-7-17(20)8-10-21)14-3-4-16-12-18(23-2)6-5-15(16)11-14;/h3-6,11-13,17H,7-10,20H2,1-2H3;1H
InChIKeyNGRCGDUKKWUCRI-UHFFFAOYSA-N
MW348.87 g/mol
LogP3.32
Rot. Bonds3

About 1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride

1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride (PubChem CID 119373948) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
PubChem CID119373948
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
SMILESCOc1ccc2cc(C(C)C(=O)N3CCC(N)CC3)ccc2c1.Cl
InChIInChI=1S/C19H24N2O2.ClH/c1-13(19(22)21-9-7-17(20)8-10-21)14-3-4-16-12-18(23-2)6-5-15(16)11-14;/h3-6,11-13,17H,7-10,20H2,1-2H3;1H
InChIKeyNGRCGDUKKWUCRI-UHFFFAOYSA-N
XLogP3.32
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 119410402
1-(3-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride
CID 119378452
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 119645365
(2S)-2-(6-methoxynaphthalen-2-yl)-1-[4-(piperidine-1-carbonyl)piperazin-1-yl]propan-1-one
CID 18292919
1-[1-(6-methoxynaphthalen-2-yl)ethyl]piperidin-4-amine
CID 43130766
[4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 164936733
1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55940211
(2S)-1-[2-(6-methoxynaphthalen-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365455
(2R)-1-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 25383842
2-(3-methoxyphenyl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119560528
N-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]piperidine-4-carboxamide
CID 41411139
(2S)-1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-(6-methoxynaphthalen-2-yl)propan-1-one
CID 55940554

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride (CID 119373948) is 1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride is COc1ccc2cc(C(C)C(=O)N3CCC(N)CC3)ccc2c1.Cl.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride?
The InChIKey is NGRCGDUKKWUCRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2.ClH/c1-13(19(22)21-9-7-17(20)8-10-21)14-3-4-16-12-18(23-2)6-5-15(16)11-14;/h3-6,11-13,17H,7-10,20H2,1-2H3;1H.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride?
1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride has a molecular weight of 348.87 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-(6-methoxynaphthalen-2-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119373948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).