5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide

C22H29ClN2O3 — CID 129108531

IUPAC5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide
SMILESCc1c(C(=O)NCC2C(=O)N(C)C(C)CC2C)cc(Cl)cc1C1=CCOCC1
InChIInChI=1S/C22H29ClN2O3/c1-13-9-14(2)25(4)22(27)20(13)12-24-21(26)19-11-17(23)10-18(15(19)3)16-5-7-28-8-6-16/h5,10-11,13-14,20H,6-9,12H2,1-4H3,(H,24,26)
InChIKeyICWQFGNVLGRWIX-UHFFFAOYSA-N
MW404.94 g/mol
LogP3.68
Rot. Bonds4

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

5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide (PubChem CID 129108531) has the molecular formula C22H29ClN2O3 and a molecular weight of 404.94 g/mol. Its IUPAC name is 5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide
PubChem CID129108531
Molecular FormulaC22H29ClN2O3
Molecular Weight404.94 g/mol
Exact Mass404.19
IUPAC Name5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide
SMILESCc1c(C(=O)NCC2C(=O)N(C)C(C)CC2C)cc(Cl)cc1C1=CCOCC1
InChIInChI=1S/C22H29ClN2O3/c1-13-9-14(2)25(4)22(27)20(13)12-24-21(26)19-11-17(23)10-18(15(19)3)16-5-7-28-8-6-16/h5,10-11,13-14,20H,6-9,12H2,1-4H3,(H,24,26)
InChIKeyICWQFGNVLGRWIX-UHFFFAOYSA-N
XLogP3.68
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.94
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-2-methyl-3-[methyl(2-methylpropyl)amino]-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide
CID 158259729
5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90151271
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
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
5-chloro-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-ylmethyl)amino]-2-methylbenzamide
CID 123574077
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
2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide
CID 139311505
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
methyl 2-[3-chloro-4-(3,6-dihydro-2H-pyran-4-yl)phenyl]acetate
CID 170755786
5-cyano-N-[(4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
CID 140752542
N-[(1-cyclodecyl-4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[2,2-difluoropropyl(oxan-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 167077537
5-chloro-N-(cyclopropylmethyl)-2-methyl-3-sulfamoylbenzamide
CID 82890908

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide?
The IUPAC name of 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) is 5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide.
What is the SMILES notation for 5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide?
The canonical SMILES for 5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide is Cc1c(C(=O)NCC2C(=O)N(C)C(C)CC2C)cc(Cl)cc1C1=CCOCC1.
What is the InChIKey of 5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide?
The InChIKey is ICWQFGNVLGRWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O3/c1-13-9-14(2)25(4)22(27)20(13)12-24-21(26)19-11-17(23)10-18(15(19)3)16-5-7-28-8-6-16/h5,10-11,13-14,20H,6-9,12H2,1-4H3,(H,24,26).
What are the key properties of 5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide?
5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide has a molecular weight of 404.94 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(3,6-dihydro-2H-pyran-4-yl)-2-methyl-N-[(1,4,6-trimethyl-2-oxopiperidin-3-yl)methyl]benzamide is sourced from PubChem (CID 129108531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).