N-[2-chloro-5-(piperidine-1-carbonyl)phenyl]morpholine-4-carboxamide

C17H22ClN3O3 — CID 72863358

IUPACN-[2-chloro-5-(piperidine-1-carbonyl)phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1cc(C(=O)N2CCCCC2)ccc1Cl)N1CCOCC1
InChIInChI=1S/C17H22ClN3O3/c18-14-5-4-13(16(22)20-6-2-1-3-7-20)12-15(14)19-17(23)21-8-10-24-11-9-21/h4-5,12H,1-3,6-11H2,(H,19,23)
InChIKeyALTUXTCOOKMYAC-UHFFFAOYSA-N
MW351.83 g/mol
LogP2.83
Rot. Bonds2

About N-[2-chloro-5-(piperidine-1-carbonyl)phenyl]morpholine-4-carboxamide

N-[2-chloro-5-(piperidine-1-carbonyl)phenyl]morpholine-4-carboxamide (PubChem CID 72863358) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is N-[2-chloro-5-(piperidine-1-carbonyl)phenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-5-(piperidine-1-carbonyl)phenyl]morpholine-4-carboxamide
PubChem CID72863358
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC NameN-[2-chloro-5-(piperidine-1-carbonyl)phenyl]morpholine-4-carboxamide
SMILESO=C(Nc1cc(C(=O)N2CCCCC2)ccc1Cl)N1CCOCC1
InChIInChI=1S/C17H22ClN3O3/c18-14-5-4-13(16(22)20-6-2-1-3-7-20)12-15(14)19-17(23)21-8-10-24-11-9-21/h4-5,12H,1-3,6-11H2,(H,19,23)
InChIKeyALTUXTCOOKMYAC-UHFFFAOYSA-N
XLogP2.83
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(azepane-1-carbonylamino)-4-chlorobenzoic acid
CID 61188522
(3S)-N-[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]-3-(hydroxymethyl)morpholine-4-carboxamide
CID 97276126
N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]methanesulfonamide
CID 49014229
N-(2,5-dichlorophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045546
(3aR,6aR)-N-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carboxamide
CID 133115117
N-(2-chloro-5-methoxyphenyl)morpholine-4-carboxamide
CID 47421313
N-(5-bromo-2-chlorophenyl)piperidine-1-carboxamide
CID 112730281
N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]azocane-1-carboxamide
CID 71935966
N-(2,5-dichlorophenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044703
N-[5-(azocane-1-carbonyl)-2-chlorophenyl]thiophene-2-carboxamide
CID 51145614
1-[2-chloro-5-(morpholine-4-carbonyl)phenyl]-3-(1,2-oxazol-3-ylmethyl)urea
CID 72878705
N-[[2-chloro-5-(morpholine-4-carbonyl)phenyl]carbamothioyl]-2-(4-chlorophenyl)acetamide
CID 54860206

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(piperidine-1-carbonyl)phenyl]morpholine-4-carboxamide?
The IUPAC name of N-[2-chloro-5-(piperidine-1-carbonyl)phenyl]morpholine-4-carboxamide (CID 72863358) is N-[2-chloro-5-(piperidine-1-carbonyl)phenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[2-chloro-5-(piperidine-1-carbonyl)phenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[2-chloro-5-(piperidine-1-carbonyl)phenyl]morpholine-4-carboxamide is O=C(Nc1cc(C(=O)N2CCCCC2)ccc1Cl)N1CCOCC1.
What is the InChIKey of N-[2-chloro-5-(piperidine-1-carbonyl)phenyl]morpholine-4-carboxamide?
The InChIKey is ALTUXTCOOKMYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c18-14-5-4-13(16(22)20-6-2-1-3-7-20)12-15(14)19-17(23)21-8-10-24-11-9-21/h4-5,12H,1-3,6-11H2,(H,19,23).
What are the key properties of N-[2-chloro-5-(piperidine-1-carbonyl)phenyl]morpholine-4-carboxamide?
N-[2-chloro-5-(piperidine-1-carbonyl)phenyl]morpholine-4-carboxamide has a molecular weight of 351.83 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(piperidine-1-carbonyl)phenyl]morpholine-4-carboxamide is sourced from PubChem (CID 72863358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).