5-chloro-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-ylmethyl)amino]-2-methylbenzamide

C24H36ClN3O3 — CID 123574077

IUPAC5-chloro-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-ylmethyl)amino]-2-methylbenzamide
SMILESCCN(CC1CCOCC1)c1cc(Cl)cc(C(=O)NCC2C(=O)NC(C)CC2C)c1C
InChIInChI=1S/C24H36ClN3O3/c1-5-28(14-18-6-8-31-9-7-18)22-12-19(25)11-20(17(22)4)23(29)26-13-21-15(2)10-16(3)27-24(21)30/h11-12,15-16,18,21H,5-10,13-14H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyKGXQGUALVILQLC-UHFFFAOYSA-N
MW450.02 g/mol
LogP3.79
Rot. Bonds7

About 5-chloro-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-ylmethyl)amino]-2-methylbenzamide

5-chloro-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-ylmethyl)amino]-2-methylbenzamide (PubChem CID 123574077) has the molecular formula C24H36ClN3O3 and a molecular weight of 450.02 g/mol. Its IUPAC name is 5-chloro-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-ylmethyl)amino]-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-ylmethyl)amino]-2-methylbenzamide
PubChem CID123574077
Molecular FormulaC24H36ClN3O3
Molecular Weight450.02 g/mol
Exact Mass449.24
IUPAC Name5-chloro-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-ylmethyl)amino]-2-methylbenzamide
SMILESCCN(CC1CCOCC1)c1cc(Cl)cc(C(=O)NCC2C(=O)NC(C)CC2C)c1C
InChIInChI=1S/C24H36ClN3O3/c1-5-28(14-18-6-8-31-9-7-18)22-12-19(25)11-20(17(22)4)23(29)26-13-21-15(2)10-16(3)27-24(21)30/h11-12,15-16,18,21H,5-10,13-14H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyKGXQGUALVILQLC-UHFFFAOYSA-N
XLogP3.79
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.02
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyano-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
CID 140752542
5-[4-[(3-aminopropylamino)methyl]phenyl]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
CID 118797727
1-[5-chloro-3-[cyclopentylmethyl(ethyl)amino]-2-methylphenyl]ethanone
CID 129109141
tert-butyl 4-[5-chloro-3-[(4,6-dimethyl-2-oxopiperidin-3-yl)methylcarbamoyl]-2-methylphenyl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 90168505
N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-4-[ethyl-[1-(oxan-4-yl)piperidin-4-yl]amino]-1,5-dimethylindazole-6-carboxamide
CID 162678232
3-[cyclopentanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-methyl-5-[4-(piperazin-1-ylmethyl)phenyl]benzamide
CID 155489946
5-chloro-3-[ethyl(oxan-4-yl)amino]-N-(1H-imidazol-5-ylmethyl)-2-methylbenzamide
CID 86275883
5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide
CID 129108531
5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1-methylimidazol-4-yl)methyl]benzamide
CID 86288041
3-[cyclopentanecarbonyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-methyl-5-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]benzamide
CID 155489938
5-chloro-2-methyl-3-[methyl(2-methylpropyl)amino]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide
CID 158259729
5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[(2S,4S)-2-methyloxan-4-yl]amino]-2-methylbenzamide
CID 146899493

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-ylmethyl)amino]-2-methylbenzamide?
The IUPAC name of 5-chloro-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-ylmethyl)amino]-2-methylbenzamide (CID 123574077) is 5-chloro-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-ylmethyl)amino]-2-methylbenzamide.
What is the SMILES notation for 5-chloro-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-ylmethyl)amino]-2-methylbenzamide?
The canonical SMILES for 5-chloro-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-ylmethyl)amino]-2-methylbenzamide is CCN(CC1CCOCC1)c1cc(Cl)cc(C(=O)NCC2C(=O)NC(C)CC2C)c1C.
What is the InChIKey of 5-chloro-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-ylmethyl)amino]-2-methylbenzamide?
The InChIKey is KGXQGUALVILQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36ClN3O3/c1-5-28(14-18-6-8-31-9-7-18)22-12-19(25)11-20(17(22)4)23(29)26-13-21-15(2)10-16(3)27-24(21)30/h11-12,15-16,18,21H,5-10,13-14H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of 5-chloro-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-ylmethyl)amino]-2-methylbenzamide?
5-chloro-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-ylmethyl)amino]-2-methylbenzamide has a molecular weight of 450.02 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-ylmethyl)amino]-2-methylbenzamide is sourced from PubChem (CID 123574077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).