2-(4-chlorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide

C19H28ClN3O2 — CID 112505032

IUPAC2-(4-chlorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide
SMILESCN1CCC(CNC(=O)Cc2ccc(Cl)cc2)(N2CCOCC2)CC1
InChIInChI=1S/C19H28ClN3O2/c1-22-8-6-19(7-9-22,23-10-12-25-13-11-23)15-21-18(24)14-16-2-4-17(20)5-3-16/h2-5H,6-15H2,1H3,(H,21,24)
InChIKeyKNGRZYRGEFGKKW-UHFFFAOYSA-N
MW365.91 g/mol
LogP1.80
Rot. Bonds5

About 2-(4-chlorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide

2-(4-chlorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide (PubChem CID 112505032) has the molecular formula C19H28ClN3O2 and a molecular weight of 365.91 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide
PubChem CID112505032
Molecular FormulaC19H28ClN3O2
Molecular Weight365.91 g/mol
Exact Mass365.19
IUPAC Name2-(4-chlorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide
SMILESCN1CCC(CNC(=O)Cc2ccc(Cl)cc2)(N2CCOCC2)CC1
InChIInChI=1S/C19H28ClN3O2/c1-22-8-6-19(7-9-22,23-10-12-25-13-11-23)15-21-18(24)14-16-2-4-17(20)5-3-16/h2-5H,6-15H2,1H3,(H,21,24)
InChIKeyKNGRZYRGEFGKKW-UHFFFAOYSA-N
XLogP1.80
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.91
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide
CID 112505047
2-(3,4-dichlorophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 2542286
N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]pentanamide
CID 112505002
N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbutanamide
CID 110622688
3,4-dimethyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505026
3-(3-fluorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide
CID 110622703
3-(4-fluorophenyl)-2-methyl-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]propanamide
CID 110303417
3-fluoro-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505015
3,4-dimethoxy-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]benzamide
CID 112505028
2,5-dichloro-N-[(1-morpholin-4-ylcyclobutyl)methyl]benzamide
CID 139027826
(E)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-phenylbut-2-enamide
CID 110303397
5-chloro-2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150722

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide (CID 112505032) is 2-(4-chlorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide is CN1CCC(CNC(=O)Cc2ccc(Cl)cc2)(N2CCOCC2)CC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide?
The InChIKey is KNGRZYRGEFGKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28ClN3O2/c1-22-8-6-19(7-9-22,23-10-12-25-13-11-23)15-21-18(24)14-16-2-4-17(20)5-3-16/h2-5H,6-15H2,1H3,(H,21,24).
What are the key properties of 2-(4-chlorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide?
2-(4-chlorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide has a molecular weight of 365.91 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]acetamide is sourced from PubChem (CID 112505032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).