(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;trihydrochloride

C19H33Cl3N4O — CID 21060504

IUPAC(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;trihydrochloride
SMILESCN1CCC(C2CCN(C(=O)[C@H](N)Cc3ccccn3)CC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C19H30N4O.3ClH/c1-22-10-5-15(6-11-22)16-7-12-23(13-8-16)19(24)18(20)14-17-4-2-3-9-21-17;;;/h2-4,9,15-16,18H,5-8,10-14,20H2,1H3;3*1H/t18-;;;/m1.../s1
InChIKeyUAENVGNJXRPKLC-YTNSDAIYSA-N
MW439.86 g/mol
LogP2.80
Rot. Bonds4

About (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;trihydrochloride

(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;trihydrochloride (PubChem CID 21060504) has the molecular formula C19H33Cl3N4O and a molecular weight of 439.86 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;trihydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;trihydrochloride
PubChem CID21060504
Molecular FormulaC19H33Cl3N4O
Molecular Weight439.86 g/mol
Exact Mass438.17
IUPAC Name(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;trihydrochloride
SMILESCN1CCC(C2CCN(C(=O)[C@H](N)Cc3ccccn3)CC2)CC1.Cl.Cl.Cl
InChIInChI=1S/C19H30N4O.3ClH/c1-22-10-5-15(6-11-22)16-7-12-23(13-8-16)19(24)18(20)14-17-4-2-3-9-21-17;;;/h2-4,9,15-16,18H,5-8,10-14,20H2,1H3;3*1H/t18-;;;/m1.../s1
InChIKeyUAENVGNJXRPKLC-YTNSDAIYSA-N
XLogP2.80
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.86
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;trihydrochloride with MolForge

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Related Compounds

(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-3-pyridin-2-ylpropan-1-one;tetrahydrochloride
CID 21060502
(2R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 23540162
2-amino-3-pyridin-2-ylpropanamide;hydrochloride
CID 67508641
3-amino-4-pyridin-2-ylbutan-2-one
CID 58265029
(2S)-2-amino-3-pyridin-2-ylpropanoic acid;hydrochloride
CID 46705394
(2S)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 69329121
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one;hydrochloride
CID 23540153
2-amino-N',N'-dimethyl-3-pyridin-2-ylpropanehydrazide;hydrochloride
CID 67279388
(2R,3R)-2-amino-3-hydroxy-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]butan-1-one;hydrochloride
CID 23540159
ethyl (2R)-2-amino-3-pyridin-2-ylpropanoate
CID 57496737
(2R)-2-amino-4,4-dimethyl-1-pyridin-2-ylpentan-3-one
CID 58458155

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;trihydrochloride?
The IUPAC name of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;trihydrochloride (CID 21060504) is (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;trihydrochloride.
What is the SMILES notation for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;trihydrochloride?
The canonical SMILES for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;trihydrochloride is CN1CCC(C2CCN(C(=O)[C@H](N)Cc3ccccn3)CC2)CC1.Cl.Cl.Cl.
What is the InChIKey of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;trihydrochloride?
The InChIKey is UAENVGNJXRPKLC-YTNSDAIYSA-N. The full InChI is InChI=1S/C19H30N4O.3ClH/c1-22-10-5-15(6-11-22)16-7-12-23(13-8-16)19(24)18(20)14-17-4-2-3-9-21-17;;;/h2-4,9,15-16,18H,5-8,10-14,20H2,1H3;3*1H/t18-;;;/m1.../s1.
What are the key properties of (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;trihydrochloride?
(2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;trihydrochloride has a molecular weight of 439.86 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one;trihydrochloride is sourced from PubChem (CID 21060504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).