[4-(ethylaminomethyl)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride

C16H23ClN4O2 — CID 119645414

IUPAC[4-(ethylaminomethyl)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
SMILESCCNCC1CCN(C(=O)c2cnc3onc(C)c3c2)CC1.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-3-17-9-12-4-6-20(7-5-12)16(21)13-8-14-11(2)19-22-15(14)18-10-13;/h8,10,12,17H,3-7,9H2,1-2H3;1H
InChIKeyPWANHEXEYCUGMP-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.41
Rot. Bonds4

About [4-(ethylaminomethyl)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride

[4-(ethylaminomethyl)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride (PubChem CID 119645414) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is [4-(ethylaminomethyl)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(ethylaminomethyl)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
PubChem CID119645414
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name[4-(ethylaminomethyl)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
SMILESCCNCC1CCN(C(=O)c2cnc3onc(C)c3c2)CC1.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-3-17-9-12-4-6-20(7-5-12)16(21)13-8-14-11(2)19-22-15(14)18-10-13;/h8,10,12,17H,3-7,9H2,1-2H3;1H
InChIKeyPWANHEXEYCUGMP-UHFFFAOYSA-N
XLogP2.41
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-(ethylaminomethyl)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride with MolForge

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
CID 119622726
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 62371859
(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119645490
1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)piperidine-4-carbonitrile
CID 49062645
methyl 1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-3-carboxylate
CID 112733952
6-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;dihydrochloride
CID 119644795
(3-hydroxyazetidin-1-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 55178781
(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560029
(3,5-dimethoxy-4-methylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119648224
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
CID 119631996
N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 119506007
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
CID 119645422

Frequently Asked Questions

What is the IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride?
The IUPAC name of [4-(ethylaminomethyl)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride (CID 119645414) is [4-(ethylaminomethyl)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(ethylaminomethyl)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride?
The canonical SMILES for [4-(ethylaminomethyl)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride is CCNCC1CCN(C(=O)c2cnc3onc(C)c3c2)CC1.Cl.
What is the InChIKey of [4-(ethylaminomethyl)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride?
The InChIKey is PWANHEXEYCUGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.ClH/c1-3-17-9-12-4-6-20(7-5-12)16(21)13-8-14-11(2)19-22-15(14)18-10-13;/h8,10,12,17H,3-7,9H2,1-2H3;1H.
What are the key properties of [4-(ethylaminomethyl)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride?
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylaminomethyl)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride is sourced from PubChem (CID 119645414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).