N-[(4-benzyl-6-methyl-2-oxopiperidin-3-yl)methyl]-5-bromo-2-methyl-3-(propan-2-ylamino)benzamide

C25H32BrN3O2 — CID 154700377

IUPACN-[(4-benzyl-6-methyl-2-oxopiperidin-3-yl)methyl]-5-bromo-2-methyl-3-(propan-2-ylamino)benzamide
SMILESCc1c(NC(C)C)cc(Br)cc1C(=O)NCC1C(=O)NC(C)CC1Cc1ccccc1
InChIInChI=1S/C25H32BrN3O2/c1-15(2)28-23-13-20(26)12-21(17(23)4)24(30)27-14-22-19(10-16(3)29-25(22)31)11-18-8-6-5-7-9-18/h5-9,12-13,15-16,19,22,28H,10-11,14H2,1-4H3,(H,27,30)(H,29,31)
InChIKeyRWRGPCWBACHRLA-UHFFFAOYSA-N
MW486.45 g/mol
LogP4.69
Rot. Bonds7

About N-[(4-benzyl-6-methyl-2-oxopiperidin-3-yl)methyl]-5-bromo-2-methyl-3-(propan-2-ylamino)benzamide

N-[(4-benzyl-6-methyl-2-oxopiperidin-3-yl)methyl]-5-bromo-2-methyl-3-(propan-2-ylamino)benzamide (PubChem CID 154700377) has the molecular formula C25H32BrN3O2 and a molecular weight of 486.45 g/mol. Its IUPAC name is N-[(4-benzyl-6-methyl-2-oxopiperidin-3-yl)methyl]-5-bromo-2-methyl-3-(propan-2-ylamino)benzamide.

Molecular Properties

Compound NameN-[(4-benzyl-6-methyl-2-oxopiperidin-3-yl)methyl]-5-bromo-2-methyl-3-(propan-2-ylamino)benzamide
PubChem CID154700377
Molecular FormulaC25H32BrN3O2
Molecular Weight486.45 g/mol
Exact Mass485.17
IUPAC NameN-[(4-benzyl-6-methyl-2-oxopiperidin-3-yl)methyl]-5-bromo-2-methyl-3-(propan-2-ylamino)benzamide
SMILESCc1c(NC(C)C)cc(Br)cc1C(=O)NCC1C(=O)NC(C)CC1Cc1ccccc1
InChIInChI=1S/C25H32BrN3O2/c1-15(2)28-23-13-20(26)12-21(17(23)4)24(30)27-14-22-19(10-16(3)29-25(22)31)11-18-8-6-5-7-9-18/h5-9,12-13,15-16,19,22,28H,10-11,14H2,1-4H3,(H,27,30)(H,29,31)
InChIKeyRWRGPCWBACHRLA-UHFFFAOYSA-N
XLogP4.69
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.45
LogP ≤ 54.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-benzyl-6-methyl-2-oxopiperidin-3-yl)methyl]-5-bromo-2-methyl-3-(propan-2-ylamino)benzamide?
The IUPAC name of N-[(4-benzyl-6-methyl-2-oxopiperidin-3-yl)methyl]-5-bromo-2-methyl-3-(propan-2-ylamino)benzamide (CID 154700377) is N-[(4-benzyl-6-methyl-2-oxopiperidin-3-yl)methyl]-5-bromo-2-methyl-3-(propan-2-ylamino)benzamide.
What is the SMILES notation for N-[(4-benzyl-6-methyl-2-oxopiperidin-3-yl)methyl]-5-bromo-2-methyl-3-(propan-2-ylamino)benzamide?
The canonical SMILES for N-[(4-benzyl-6-methyl-2-oxopiperidin-3-yl)methyl]-5-bromo-2-methyl-3-(propan-2-ylamino)benzamide is Cc1c(NC(C)C)cc(Br)cc1C(=O)NCC1C(=O)NC(C)CC1Cc1ccccc1.
What is the InChIKey of N-[(4-benzyl-6-methyl-2-oxopiperidin-3-yl)methyl]-5-bromo-2-methyl-3-(propan-2-ylamino)benzamide?
The InChIKey is RWRGPCWBACHRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32BrN3O2/c1-15(2)28-23-13-20(26)12-21(17(23)4)24(30)27-14-22-19(10-16(3)29-25(22)31)11-18-8-6-5-7-9-18/h5-9,12-13,15-16,19,22,28H,10-11,14H2,1-4H3,(H,27,30)(H,29,31).
What are the key properties of N-[(4-benzyl-6-methyl-2-oxopiperidin-3-yl)methyl]-5-bromo-2-methyl-3-(propan-2-ylamino)benzamide?
N-[(4-benzyl-6-methyl-2-oxopiperidin-3-yl)methyl]-5-bromo-2-methyl-3-(propan-2-ylamino)benzamide has a molecular weight of 486.45 g/mol, XLogP of 4.69, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-benzyl-6-methyl-2-oxopiperidin-3-yl)methyl]-5-bromo-2-methyl-3-(propan-2-ylamino)benzamide is sourced from PubChem (CID 154700377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).