N-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide

C20H28ClN3O3 — CID 24790428

IUPACN-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C20H28ClN3O3/c21-18-4-1-3-16(13-18)14-22-20(26)17-5-6-19(25)24(15-17)8-2-7-23-9-11-27-12-10-23/h1,3-4,13,17H,2,5-12,14-15H2,(H,22,26)
InChIKeyMNBNPEGXYWSRQO-UHFFFAOYSA-N
MW393.92 g/mol
LogP1.92
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide

N-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 24790428) has the molecular formula C20H28ClN3O3 and a molecular weight of 393.92 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID24790428
Molecular FormulaC20H28ClN3O3
Molecular Weight393.92 g/mol
Exact Mass393.18
IUPAC NameN-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)C1CCC(=O)N(CCCN2CCOCC2)C1
InChIInChI=1S/C20H28ClN3O3/c21-18-4-1-3-16(13-18)14-22-20(26)17-5-6-19(25)24(15-17)8-2-7-23-9-11-27-12-10-23/h1,3-4,13,17H,2,5-12,14-15H2,(H,22,26)
InChIKeyMNBNPEGXYWSRQO-UHFFFAOYSA-N
XLogP1.92
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.92
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2-(morpholin-4-yl)ethyl)benzamide
CID 669179
N~4~-(2-Chlorobenzyl)-1-(morpholinosulfonyl)-4-piperidinecarboxamide
CID 4064508
5-[4-[(3-Chlorophenyl)methyl]piperazine-1-carbonyl]-1-cyclopentylpiperidin-2-one
CID 24791192
N-(4-chlorobenzyl)-1-cycloheptyl-6-oxo-3-piperidinecarboxamide
CID 24792074
1-(4-chlorobenzyl)-N-(3-cyclopentylpropyl)-6-oxo-3-piperidinecarboxamide
CID 24794182
1-(4-chlorobenzyl)-N-[2-(1-cyclohexen-1-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24817174
N-[1-(4-chlorobenzyl)-3-piperidyl]-3-(2-ketopiperidino)propionamide
CID 24817686
1-(4-Chlorobenzyl)-5-[(4-methyl-1-piperidinyl)carbonyl]-2-piperidinone
CID 24817781
4-chloro-N-[3-(3-morpholin-4-ylpropylamino)-3-oxopropyl]benzamide
CID 25163571
3-[(3S,4R)-1-[(3-chlorophenyl)methyl]-4-(dimethylamino)piperidin-3-yl]-N-(3-morpholin-4-ylpropyl)propanamide
CID 45488439
N'-[(4-chlorophenyl)methyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 2172999
1-(4-Chlorobenzyl)-5-(4-morpholinylcarbonyl)-2-piperidinone
CID 24790326

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide (CID 24790428) is N-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide is O=C(NCc1cccc(Cl)c1)C1CCC(=O)N(CCCN2CCOCC2)C1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is MNBNPEGXYWSRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O3/c21-18-4-1-3-16(13-18)14-22-20(26)17-5-6-19(25)24(15-17)8-2-7-23-9-11-27-12-10-23/h1,3-4,13,17H,2,5-12,14-15H2,(H,22,26).
What are the key properties of N-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide?
N-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 393.92 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 24790428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).