N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]morpholine-3-carboxamide

C18H24ClN3O3 — CID 119713018

IUPACN-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]morpholine-3-carboxamide
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)C2COCCN2)cc1Cl
InChIInChI=1S/C18H24ClN3O3/c1-12-4-2-3-8-22(12)18(24)14-6-5-13(10-15(14)19)21-17(23)16-11-25-9-7-20-16/h5-6,10,12,16,20H,2-4,7-9,11H2,1H3,(H,21,23)
InChIKeyAGIXDSPLIZXCLK-UHFFFAOYSA-N
MW365.86 g/mol
LogP2.28
Rot. Bonds3

About N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]morpholine-3-carboxamide

N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]morpholine-3-carboxamide (PubChem CID 119713018) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]morpholine-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]morpholine-3-carboxamide
PubChem CID119713018
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC NameN-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]morpholine-3-carboxamide
SMILESCC1CCCCN1C(=O)c1ccc(NC(=O)C2COCCN2)cc1Cl
InChIInChI=1S/C18H24ClN3O3/c1-12-4-2-3-8-22(12)18(24)14-6-5-13(10-15(14)19)21-17(23)16-11-25-9-7-20-16/h5-6,10,12,16,20H,2-4,7-9,11H2,1H3,(H,21,23)
InChIKeyAGIXDSPLIZXCLK-UHFFFAOYSA-N
XLogP2.28
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-chloro-4-(morpholine-3-carbonylamino)benzoate
CID 119794095
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119713023
(2S,5R)-5-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]oxolane-2-carboxamide
CID 120786482
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119713029
N-[3-chloro-4-(morpholine-4-carbonyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119283310
4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]oxane-4-carboxamide;hydrochloride
CID 120922768
4-[3-chloro-4-(2-methylpiperidine-1-carbonyl)anilino]-2,2-dimethyl-4-oxobutanoic acid
CID 119133661
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide
CID 119949567
5-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-methylbenzamide
CID 120621032
3-amino-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119949566
[(2R)-2-methylpiperidin-1-yl]-[(3S)-morpholin-3-yl]methanone
CID 96998627
4-(aminomethyl)-N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119283706

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]morpholine-3-carboxamide?
The IUPAC name of N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]morpholine-3-carboxamide (CID 119713018) is N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]morpholine-3-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]morpholine-3-carboxamide?
The canonical SMILES for N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]morpholine-3-carboxamide is CC1CCCCN1C(=O)c1ccc(NC(=O)C2COCCN2)cc1Cl.
What is the InChIKey of N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]morpholine-3-carboxamide?
The InChIKey is AGIXDSPLIZXCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-12-4-2-3-8-22(12)18(24)14-6-5-13(10-15(14)19)21-17(23)16-11-25-9-7-20-16/h5-6,10,12,16,20H,2-4,7-9,11H2,1H3,(H,21,23).
What are the key properties of N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]morpholine-3-carboxamide?
N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]morpholine-3-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methylpiperidine-1-carbonyl)phenyl]morpholine-3-carboxamide is sourced from PubChem (CID 119713018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).