2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-4-morpholin-4-ylbenzamide;hydrochloride

C16H23ClFN3O3 — CID 118665638

IUPAC2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-4-morpholin-4-ylbenzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(N2CCOCC2)cc1O[C@@H]1CCNC[C@@H]1F
InChIInChI=1S/C16H22FN3O3.ClH/c17-13-10-19-4-3-14(13)23-15-9-11(1-2-12(15)16(18)21)20-5-7-22-8-6-20;/h1-2,9,13-14,19H,3-8,10H2,(H2,18,21);1H/t13-,14+;/m0./s1
InChIKeyBKFNNFWRNXNOSR-LMRHVHIWSA-N
MW359.83 g/mol
LogP1.12
Rot. Bonds4

About 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-4-morpholin-4-ylbenzamide;hydrochloride

2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-4-morpholin-4-ylbenzamide;hydrochloride (PubChem CID 118665638) has the molecular formula C16H23ClFN3O3 and a molecular weight of 359.83 g/mol. Its IUPAC name is 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-4-morpholin-4-ylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-4-morpholin-4-ylbenzamide;hydrochloride
PubChem CID118665638
Molecular FormulaC16H23ClFN3O3
Molecular Weight359.83 g/mol
Exact Mass359.14
IUPAC Name2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-4-morpholin-4-ylbenzamide;hydrochloride
SMILESCl.NC(=O)c1ccc(N2CCOCC2)cc1O[C@@H]1CCNC[C@@H]1F
InChIInChI=1S/C16H22FN3O3.ClH/c17-13-10-19-4-3-14(13)23-15-9-11(1-2-12(15)16(18)21)20-5-7-22-8-6-20;/h1-2,9,13-14,19H,3-8,10H2,(H2,18,21);1H/t13-,14+;/m0./s1
InChIKeyBKFNNFWRNXNOSR-LMRHVHIWSA-N
XLogP1.12
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.83
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-3-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyridazine-4-carboxamide
CID 118167833
methyl 5-morpholin-4-yl-2-(pyrrolidine-3-carbonylamino)benzoate;dihydrochloride
CID 119840974
4-chloro-2-(4-methylpiperidin-3-yl)oxybenzamide
CID 102954421
2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-5-(2-methyltriazol-4-yl)pyridine-3-carboxamide;hydrochloride
CID 118167935
N-(5-morpholin-4-yl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 119842040
1-(2-amino-4-morpholin-4-ylphenyl)ethanone;dihydrochloride
CID 70180295
2-(3-chloro-4-piperidin-4-yloxyphenyl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604352
2-(3-fluoropiperidin-4-yl)oxy-5-(1-methyltriazol-4-yl)pyridine-3-carboxamide
CID 123354840
[(3S,4R)-3-fluoropiperidin-4-yl] carbamate
CID 175145817
2-[1-[3-(4-tert-butylcyclohexyl)-4-[(3S)-pyrrolidin-3-yl]oxybenzoyl]piperidin-4-yl]oxy-4-piperazin-1-ylbenzamide;dihydrochloride
CID 166087345
(4-morpholin-4-yl-2-nitrophenyl) carbamate
CID 175004808
methyl 2-(morpholine-2-carbonylamino)-5-morpholin-4-ylbenzoate;dihydrochloride
CID 119840964

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-4-morpholin-4-ylbenzamide;hydrochloride?
The IUPAC name of 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-4-morpholin-4-ylbenzamide;hydrochloride (CID 118665638) is 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-4-morpholin-4-ylbenzamide;hydrochloride.
What is the SMILES notation for 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-4-morpholin-4-ylbenzamide;hydrochloride?
The canonical SMILES for 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-4-morpholin-4-ylbenzamide;hydrochloride is Cl.NC(=O)c1ccc(N2CCOCC2)cc1O[C@@H]1CCNC[C@@H]1F.
What is the InChIKey of 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-4-morpholin-4-ylbenzamide;hydrochloride?
The InChIKey is BKFNNFWRNXNOSR-LMRHVHIWSA-N. The full InChI is InChI=1S/C16H22FN3O3.ClH/c17-13-10-19-4-3-14(13)23-15-9-11(1-2-12(15)16(18)21)20-5-7-22-8-6-20;/h1-2,9,13-14,19H,3-8,10H2,(H2,18,21);1H/t13-,14+;/m0./s1.
What are the key properties of 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-4-morpholin-4-ylbenzamide;hydrochloride?
2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-4-morpholin-4-ylbenzamide;hydrochloride has a molecular weight of 359.83 g/mol, XLogP of 1.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,4R)-3-fluoropiperidin-4-yl]oxy-4-morpholin-4-ylbenzamide;hydrochloride is sourced from PubChem (CID 118665638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).