5-chloro-2-methyl-3-[methyl(2-methylpropyl)amino]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide

C22H34ClN3O2 — CID 158259729

IUPAC5-chloro-2-methyl-3-[methyl(2-methylpropyl)amino]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide
SMILESCc1c(C(=O)NCC2C(=O)N(C)C(C)CC2C)cc(Cl)cc1N(C)CC(C)C
InChIInChI=1S/C22H34ClN3O2/c1-13(2)12-25(6)20-10-17(23)9-18(16(20)5)21(27)24-11-19-14(3)8-15(4)26(7)22(19)28/h9-10,13-15,19H,8,11-12H2,1-7H3,(H,24,27)
InChIKeyGHSQEDTZNPPFMR-UHFFFAOYSA-N
MW407.99 g/mol
LogP3.97
Rot. Bonds6

About 5-chloro-2-methyl-3-[methyl(2-methylpropyl)amino]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide

5-chloro-2-methyl-3-[methyl(2-methylpropyl)amino]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide (PubChem CID 158259729) has the molecular formula C22H34ClN3O2 and a molecular weight of 407.99 g/mol. Its IUPAC name is 5-chloro-2-methyl-3-[methyl(2-methylpropyl)amino]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methyl-3-[methyl(2-methylpropyl)amino]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide
PubChem CID158259729
Molecular FormulaC22H34ClN3O2
Molecular Weight407.99 g/mol
Exact Mass407.23
IUPAC Name5-chloro-2-methyl-3-[methyl(2-methylpropyl)amino]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide
SMILESCc1c(C(=O)NCC2C(=O)N(C)C(C)CC2C)cc(Cl)cc1N(C)CC(C)C
InChIInChI=1S/C22H34ClN3O2/c1-13(2)12-25(6)20-10-17(23)9-18(16(20)5)21(27)24-11-19-14(3)8-15(4)26(7)22(19)28/h9-10,13-15,19H,8,11-12H2,1-7H3,(H,24,27)
InChIKeyGHSQEDTZNPPFMR-UHFFFAOYSA-N
XLogP3.97
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.99
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
3-[cyclopentyl(methyl)amino]-2-methyl-5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide
CID 166958060
3-[[[3-[5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methylphenyl]oxiran-2-yl]amino]methyl]-1,4,6-trimethylpiperidin-2-one
CID 129108497
5-chloro-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-ylmethyl)amino]-2-methylbenzamide
CID 123574077
3-[(4-aminocyclohexyl)-methylamino]-N-[(1-butyl-4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-5-[4-[(dimethylamino)methyl]phenyl]-2-methylbenzamide
CID 166958037
5-chloro-3-[cyclopentylmethyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90150984
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
4-chloro-2-[methyl(2-methylpropyl)amino]benzoic acid
CID 63081667
5-chloro-3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-2-methyl-N-[3-methyl-2-(propan-2-ylcarbamoyl)butyl]benzamide
CID 137382035
N-[(4,6-dimethyl-1-nonyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 167164845
5-chloro-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-(1-methylazetidin-3-yl)amino]-2-methylbenzamide
CID 78056399
N-[(1-cyclononyl-4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-2-methyl-3-[methyl(oxan-4-yl)amino]-5-[6-(morpholin-4-ylmethyl)-3-pyridinyl]benzamide
CID 129101978

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-3-[methyl(2-methylpropyl)amino]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide?
The IUPAC name of 5-chloro-2-methyl-3-[methyl(2-methylpropyl)amino]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide (CID 158259729) is 5-chloro-2-methyl-3-[methyl(2-methylpropyl)amino]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-2-methyl-3-[methyl(2-methylpropyl)amino]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-2-methyl-3-[methyl(2-methylpropyl)amino]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide is Cc1c(C(=O)NCC2C(=O)N(C)C(C)CC2C)cc(Cl)cc1N(C)CC(C)C.
What is the InChIKey of 5-chloro-2-methyl-3-[methyl(2-methylpropyl)amino]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide?
The InChIKey is GHSQEDTZNPPFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34ClN3O2/c1-13(2)12-25(6)20-10-17(23)9-18(16(20)5)21(27)24-11-19-14(3)8-15(4)26(7)22(19)28/h9-10,13-15,19H,8,11-12H2,1-7H3,(H,24,27).
What are the key properties of 5-chloro-2-methyl-3-[methyl(2-methylpropyl)amino]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide?
5-chloro-2-methyl-3-[methyl(2-methylpropyl)amino]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide has a molecular weight of 407.99 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-3-[methyl(2-methylpropyl)amino]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide is sourced from PubChem (CID 158259729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).