N-(2-methyl-1,3-benzoxazol-5-yl)-2-piperidin-4-ylacetamide;dihydrochloride

C15H21Cl2N3O2 — CID 119833735

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-2-piperidin-4-ylacetamide;dihydrochloride
SMILESCc1nc2cc(NC(=O)CC3CCNCC3)ccc2o1.Cl.Cl
InChIInChI=1S/C15H19N3O2.2ClH/c1-10-17-13-9-12(2-3-14(13)20-10)18-15(19)8-11-4-6-16-7-5-11;;/h2-3,9,11,16H,4-8H2,1H3,(H,18,19);2*1H
InChIKeyUYDKECCGWCVMNJ-UHFFFAOYSA-N
MW346.26 g/mol
LogP3.31
Rot. Bonds3

About N-(2-methyl-1,3-benzoxazol-5-yl)-2-piperidin-4-ylacetamide;dihydrochloride

N-(2-methyl-1,3-benzoxazol-5-yl)-2-piperidin-4-ylacetamide;dihydrochloride (PubChem CID 119833735) has the molecular formula C15H21Cl2N3O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-2-piperidin-4-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-piperidin-4-ylacetamide;dihydrochloride
PubChem CID119833735
Molecular FormulaC15H21Cl2N3O2
Molecular Weight346.26 g/mol
Exact Mass345.10
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-piperidin-4-ylacetamide;dihydrochloride
SMILESCc1nc2cc(NC(=O)CC3CCNCC3)ccc2o1.Cl.Cl
InChIInChI=1S/C15H19N3O2.2ClH/c1-10-17-13-9-12(2-3-14(13)20-10)18-15(19)8-11-4-6-16-7-5-11;;/h2-3,9,11,16H,4-8H2,1H3,(H,18,19);2*1H
InChIKeyUYDKECCGWCVMNJ-UHFFFAOYSA-N
XLogP3.31
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 129430813
2-amino-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 61273973
N-(3,4-dichlorophenyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119670897
(2S,4S)-2-methyl-N-(2-methyl-1,3-benzoxazol-5-yl)piperidine-4-carboxamide
CID 120631938
3-amino-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 61276265
N-(3-fluoro-4-methylphenyl)-2-piperidin-4-ylacetamide
CID 24690499
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]acetamide
CID 119893511
N-[4-methyl-3-[(2-piperidin-4-ylacetyl)amino]phenyl]propanamide;hydrochloride
CID 119725801
N-(2-methyl-1,3-benzoxazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112604979
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 51187320
2-(3,4-dichlorophenyl)-N-(2-methyl-1,3-benzoxazol-5-yl)acetamide
CID 34303569
N-[2-(1-hydroxyethyl)-3H-benzimidazol-5-yl]-2-piperidin-4-ylacetamide
CID 131891746

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-piperidin-4-ylacetamide;dihydrochloride?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-piperidin-4-ylacetamide;dihydrochloride (CID 119833735) is N-(2-methyl-1,3-benzoxazol-5-yl)-2-piperidin-4-ylacetamide;dihydrochloride.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-2-piperidin-4-ylacetamide;dihydrochloride?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-2-piperidin-4-ylacetamide;dihydrochloride is Cc1nc2cc(NC(=O)CC3CCNCC3)ccc2o1.Cl.Cl.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-2-piperidin-4-ylacetamide;dihydrochloride?
The InChIKey is UYDKECCGWCVMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.2ClH/c1-10-17-13-9-12(2-3-14(13)20-10)18-15(19)8-11-4-6-16-7-5-11;;/h2-3,9,11,16H,4-8H2,1H3,(H,18,19);2*1H.
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-2-piperidin-4-ylacetamide;dihydrochloride?
N-(2-methyl-1,3-benzoxazol-5-yl)-2-piperidin-4-ylacetamide;dihydrochloride has a molecular weight of 346.26 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-2-piperidin-4-ylacetamide;dihydrochloride is sourced from PubChem (CID 119833735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).