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

C17H23ClN4O2 — CID 119622726

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
SMILESCc1noc2ncc(C(=O)N3CCC(NCC4CC4)CC3)cc12.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-11-15-8-13(10-19-16(15)23-20-11)17(22)21-6-4-14(5-7-21)18-9-12-2-3-12;/h8,10,12,14,18H,2-7,9H2,1H3;1H
InChIKeyOOIDNTBPAUYBOJ-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.56
Rot. Bonds4

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

[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride (PubChem CID 119622726) has the molecular formula C17H23ClN4O2 and a molecular weight of 350.85 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
PubChem CID119622726
Molecular FormulaC17H23ClN4O2
Molecular Weight350.85 g/mol
Exact Mass350.15
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
SMILESCc1noc2ncc(C(=O)N3CCC(NCC4CC4)CC3)cc12.Cl
InChIInChI=1S/C17H22N4O2.ClH/c1-11-15-8-13(10-19-16(15)23-20-11)17(22)21-6-4-14(5-7-21)18-9-12-2-3-12;/h8,10,12,14,18H,2-7,9H2,1H3;1H
InChIKeyOOIDNTBPAUYBOJ-UHFFFAOYSA-N
XLogP2.56
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
CID 119645414
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 62371859
(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560029
(3-hydroxyazetidin-1-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 55178781
2-[1-(3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)azetidin-3-yl]acetic acid
CID 64604347
[2-(aminomethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride
CID 119631996
[4-(cyclopropylmethylamino)piperidin-1-yl]-(5-methyl-1,2-oxazol-4-yl)methanone
CID 115307102
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 81483123
(2,6-dimethylmorpholin-4-yl)-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 47150631
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3,4-dichlorophenyl)methanone;hydrochloride
CID 119621638
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-iodo-4-methylphenyl)methanone;hydrochloride
CID 119625200
(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 38161377

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride (CID 119622726) is [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride is Cc1noc2ncc(C(=O)N3CCC(NCC4CC4)CC3)cc12.Cl.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride?
The InChIKey is OOIDNTBPAUYBOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.ClH/c1-11-15-8-13(10-19-16(15)23-20-11)17(22)21-6-4-14(5-7-21)18-9-12-2-3-12;/h8,10,12,14,18H,2-7,9H2,1H3;1H.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride?
[4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride has a molecular weight of 350.85 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone;hydrochloride is sourced from PubChem (CID 119622726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).