2-(5-chloro-2-morpholin-4-ylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one

C19H28ClN3O2 — CID 4880691

IUPAC2-(5-chloro-2-morpholin-4-ylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCN(C(=O)C(C)Nc2cc(Cl)ccc2N2CCOCC2)C1
InChIInChI=1S/C19H28ClN3O2/c1-14-4-3-7-23(13-14)19(24)15(2)21-17-12-16(20)5-6-18(17)22-8-10-25-11-9-22/h5-6,12,14-15,21H,3-4,7-11,13H2,1-2H3
InChIKeyZIXQOZABHRGIPJ-UHFFFAOYSA-N
MW365.91 g/mol
LogP3.24
Rot. Bonds4

About 2-(5-chloro-2-morpholin-4-ylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one

2-(5-chloro-2-morpholin-4-ylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one (PubChem CID 4880691) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 2-(5-chloro-2-morpholin-4-ylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(5-chloro-2-morpholin-4-ylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
PubChem CID4880691
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name2-(5-chloro-2-morpholin-4-ylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCCN(C(=O)C(C)Nc2cc(Cl)ccc2N2CCOCC2)C1
InChIInChI=1S/C19H28ClN3O2/c1-14-4-3-7-23(13-14)19(24)15(2)21-17-12-16(20)5-6-18(17)22-8-10-25-11-9-22/h5-6,12,14-15,21H,3-4,7-11,13H2,1-2H3
InChIKeyZIXQOZABHRGIPJ-UHFFFAOYSA-N
XLogP3.24
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2985363
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CID 6462588
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(2-oxoquinoxalin-1-yl)acetamide
CID 9154082
N-[5-chloro-2-(4-propanoylpiperazin-1-yl)phenyl]butanamide
CID 1253256
2-(4-benzyl-7-chloro-2,3-dioxoquinoxalin-1-yl)-N-ethylacetamide
CID 2441441
2-[4-(3-Chlorophenyl)piperazin-1-yl]-1-(2,6-dimethylmorpholin-4-yl)propan-1-one
CID 4879872
N-(5-chloro-2-morpholin-4-ylphenyl)-3-cyclohexylpropanamide
CID 8934496
1-(4-Chlorophenyl)-3-[1-(3-methylbutyl)-5-(2-morpholin-4-ylethyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]urea
CID 44212464
(R)-N-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-1-yl)-2-oxoethylamino)-5-chlorophenyl)acetamide
CID 44405181
4-Morpholineacetamide, N-(4-chlorophenyl)-
CID 758548
N-(5-chloro-2-morpholin-4-ylphenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 4799940
N-(5-chloro-2-morpholin-4-ylphenyl)cyclopropanecarboxamide
CID 9505148

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-morpholin-4-ylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(5-chloro-2-morpholin-4-ylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one (CID 4880691) is 2-(5-chloro-2-morpholin-4-ylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(5-chloro-2-morpholin-4-ylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(5-chloro-2-morpholin-4-ylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one is CC1CCCN(C(=O)C(C)Nc2cc(Cl)ccc2N2CCOCC2)C1.
What is the InChIKey of 2-(5-chloro-2-morpholin-4-ylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one?
The InChIKey is ZIXQOZABHRGIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-14-4-3-7-23(13-14)19(24)15(2)21-17-12-16(20)5-6-18(17)22-8-10-25-11-9-22/h5-6,12,14-15,21H,3-4,7-11,13H2,1-2H3.
What are the key properties of 2-(5-chloro-2-morpholin-4-ylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one?
2-(5-chloro-2-morpholin-4-ylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one has a molecular weight of 365.91 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-morpholin-4-ylanilino)-1-(3-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 4880691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).