(2R)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]piperidine-2-carboxamide;dihydrochloride

C15H22Cl2N4O2 — CID 119893468

IUPAC(2R)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]piperidine-2-carboxamide;dihydrochloride
SMILESCN(C)c1nc2cc(NC(=O)[C@H]3CCCCN3)ccc2o1.Cl.Cl
InChIInChI=1S/C15H20N4O2.2ClH/c1-19(2)15-18-12-9-10(6-7-13(12)21-15)17-14(20)11-5-3-4-8-16-11;;/h6-7,9,11,16H,3-5,8H2,1-2H3,(H,17,20);2*1H/t11-;;/m1../s1
InChIKeyHNNFXPSEGQVUPI-NVJADKKVSA-N
MW361.27 g/mol
LogP2.82
Rot. Bonds3

About (2R)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]piperidine-2-carboxamide;dihydrochloride

(2R)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]piperidine-2-carboxamide;dihydrochloride (PubChem CID 119893468) has the molecular formula C15H22Cl2N4O2 and a molecular weight of 361.27 g/mol. Its IUPAC name is (2R)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]piperidine-2-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]piperidine-2-carboxamide;dihydrochloride
PubChem CID119893468
Molecular FormulaC15H22Cl2N4O2
Molecular Weight361.27 g/mol
Exact Mass360.11
IUPAC Name(2R)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]piperidine-2-carboxamide;dihydrochloride
SMILESCN(C)c1nc2cc(NC(=O)[C@H]3CCCCN3)ccc2o1.Cl.Cl
InChIInChI=1S/C15H20N4O2.2ClH/c1-19(2)15-18-12-9-10(6-7-13(12)21-15)17-14(20)11-5-3-4-8-16-11;;/h6-7,9,11,16H,3-5,8H2,1-2H3,(H,17,20);2*1H/t11-;;/m1../s1
InChIKeyHNNFXPSEGQVUPI-NVJADKKVSA-N
XLogP2.82
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119290748
N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]pyrrolidine-2-carboxamide
CID 119303401
N-(2-methyl-1,3-benzoxazol-6-yl)pyrrolidine-2-carboxamide
CID 83627392
(2S)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119709884
N-quinoxalin-6-ylpiperidine-2-carboxamide
CID 54862032
(2S)-N-(1,3-benzodioxol-5-yl)piperidine-2-carboxamide;hydrochloride
CID 119668954
N-(3,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 42943662
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidine-2-carboxamide;hydrochloride
CID 119669203
2-amino-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120801059
(2R)-N-[6-(dimethylamino)-3-pyridinyl]piperidine-2-carboxamide
CID 104912943
(2R)-N-[3-[methyl(propan-2-yl)amino]phenyl]piperidine-2-carboxamide;dihydrochloride
CID 119883129
(2R)-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119718954

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]piperidine-2-carboxamide;dihydrochloride?
The IUPAC name of (2R)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]piperidine-2-carboxamide;dihydrochloride (CID 119893468) is (2R)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]piperidine-2-carboxamide;dihydrochloride.
What is the SMILES notation for (2R)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]piperidine-2-carboxamide;dihydrochloride?
The canonical SMILES for (2R)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]piperidine-2-carboxamide;dihydrochloride is CN(C)c1nc2cc(NC(=O)[C@H]3CCCCN3)ccc2o1.Cl.Cl.
What is the InChIKey of (2R)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]piperidine-2-carboxamide;dihydrochloride?
The InChIKey is HNNFXPSEGQVUPI-NVJADKKVSA-N. The full InChI is InChI=1S/C15H20N4O2.2ClH/c1-19(2)15-18-12-9-10(6-7-13(12)21-15)17-14(20)11-5-3-4-8-16-11;;/h6-7,9,11,16H,3-5,8H2,1-2H3,(H,17,20);2*1H/t11-;;/m1../s1.
What are the key properties of (2R)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]piperidine-2-carboxamide;dihydrochloride?
(2R)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]piperidine-2-carboxamide;dihydrochloride has a molecular weight of 361.27 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]piperidine-2-carboxamide;dihydrochloride is sourced from PubChem (CID 119893468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).