N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride

C17H24ClN3O3 — CID 119759666

IUPACN-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(CN2CCCCC2=O)c1)C1COCCN1
InChIInChI=1S/C17H23N3O3.ClH/c21-16-6-1-2-8-20(16)11-13-4-3-5-14(10-13)19-17(22)15-12-23-9-7-18-15;/h3-5,10,15,18H,1-2,6-9,11-12H2,(H,19,22);1H
InChIKeyFJABBTBJMUYNEE-UHFFFAOYSA-N
MW353.85 g/mol
LogP1.55
Rot. Bonds4

About N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride

N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 119759666) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride
PubChem CID119759666
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC NameN-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1cccc(CN2CCCCC2=O)c1)C1COCCN1
InChIInChI=1S/C17H23N3O3.ClH/c21-16-6-1-2-8-20(16)11-13-4-3-5-14(10-13)19-17(22)15-12-23-9-7-18-15;/h3-5,10,15,18H,1-2,6-9,11-12H2,(H,19,22);1H
InChIKeyFJABBTBJMUYNEE-UHFFFAOYSA-N
XLogP1.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]morpholine-3-carboxamide
CID 119717013
N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]morpholine-3-carboxamide;dihydrochloride
CID 119899006
N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119710451
N-[4-(azepan-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride
CID 119867908
N-[4-(2,3-dihydroindol-1-ylmethyl)phenyl]morpholine-3-carboxamide;dihydrochloride
CID 119866777
N-[3-(benzylsulfinylmethyl)phenyl]morpholine-3-carboxamide
CID 119789843
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]morpholine-3-carboxamide
CID 119738923
N-[3-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119713835
(3S)-N-[3-(tert-butylsulfanylmethyl)phenyl]morpholine-3-carboxamide
CID 100652547
N-(3-carbamoylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119687667
2-amino-2-methyl-N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]propanamide;hydrochloride
CID 119309661

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride (CID 119759666) is N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride is Cl.O=C(Nc1cccc(CN2CCCCC2=O)c1)C1COCCN1.
What is the InChIKey of N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is FJABBTBJMUYNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3.ClH/c21-16-6-1-2-8-20(16)11-13-4-3-5-14(10-13)19-17(22)15-12-23-9-7-18-15;/h3-5,10,15,18H,1-2,6-9,11-12H2,(H,19,22);1H.
What are the key properties of N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride?
N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 353.85 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-oxopiperidin-1-yl)methyl]phenyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119759666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).