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

C45H66F2N4O4 — CID 167077537

IUPACN-[(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
SMILESCc1c(C(=O)NCC2C(=O)N(C3CCCCCCCCC3)C(C)CC2C)cc(-c2ccc(CN3CCOCC3)cc2)cc1N(CC(C)(F)F)C1CCOCC1
InChIInChI=1S/C45H66F2N4O4/c1-32-26-33(2)51(39-12-10-8-6-5-7-9-11-13-39)44(53)41(32)29-48-43(52)40-27-37(36-16-14-35(15-17-36)30-49-20-24-55-25-21-49)28-42(34(40)3)50(31-45(4,46)47)38-18-22-54-23-19-38/h14-17,27-28,32-33,38-39,41H,5-13,18-26,29-31H2,1-4H3,(H,48,52)
InChIKeyXHZHOZJLLSFFMH-UHFFFAOYSA-N
MW765.04 g/mol
LogP8.63
Rot. Bonds11

About 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

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 (PubChem CID 167077537) has the molecular formula C45H66F2N4O4 and a molecular weight of 765.04 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID167077537
Molecular FormulaC45H66F2N4O4
Molecular Weight765.04 g/mol
Exact Mass764.51
IUPAC NameN-[(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
SMILESCc1c(C(=O)NCC2C(=O)N(C3CCCCCCCCC3)C(C)CC2C)cc(-c2ccc(CN3CCOCC3)cc2)cc1N(CC(C)(F)F)C1CCOCC1
InChIInChI=1S/C45H66F2N4O4/c1-32-26-33(2)51(39-12-10-8-6-5-7-9-11-13-39)44(53)41(32)29-48-43(52)40-27-37(36-16-14-35(15-17-36)30-49-20-24-55-25-21-49)28-42(34(40)3)50(31-45(4,46)47)38-18-22-54-23-19-38/h14-17,27-28,32-33,38-39,41H,5-13,18-26,29-31H2,1-4H3,(H,48,52)
InChIKeyXHZHOZJLLSFFMH-UHFFFAOYSA-N
XLogP8.63
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500765.04
LogP ≤ 58.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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
N-[(1,5-dimethyl-3-oxo-2-azaspiro[5.8]tetradecan-4-yl)methyl]-3-[ethyl-(1-methylsulfonylpiperidin-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 139316600
N-[(2,6-dimethyl-4-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 76902142
N-[2-(butan-2-ylcarbamoyl)butyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 166778017
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
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]-3-[oxan-4-yl(1,1,2,2,2-pentadeuterioethyl)amino]benzamide
CID 71465172
N-[(1,5-dimethyl-3-oxo-2-azaspiro[5.6]dodecan-4-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-[(3-oxomorpholin-4-yl)methyl]phenyl]benzamide
CID 138651320
3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(8-methyl-6-oxo-1,3,4,7-tetrahydropyrano[3,4-c]pyridin-5-yl)methyl]-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 118255956
N-[(Z)-2-(ethylcarbamoyl)-3-methylpent-2-en-4-ynyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 165394769
3-[cyclohexyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide
CID 70872406
N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-3-[ethyl-[4-(methylamino)cyclohexyl]amino]-2-methyl-5-[4-(morpholin-4-ylmethyl)phenyl]benzamide;ethane
CID 162283960

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(C(=O)NCC2C(=O)N(C3CCCCCCCCC3)C(C)CC2C)cc(-c2ccc(CN3CCOCC3)cc2)cc1N(CC(C)(F)F)C1CCOCC1.
What is the InChIKey of 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?
The InChIKey is XHZHOZJLLSFFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H66F2N4O4/c1-32-26-33(2)51(39-12-10-8-6-5-7-9-11-13-39)44(53)41(32)29-48-43(52)40-27-37(36-16-14-35(15-17-36)30-49-20-24-55-25-21-49)28-42(34(40)3)50(31-45(4,46)47)38-18-22-54-23-19-38/h14-17,27-28,32-33,38-39,41H,5-13,18-26,29-31H2,1-4H3,(H,48,52).
What are the key properties of 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?
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 has a molecular weight of 765.04 g/mol, XLogP of 8.63, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167077537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).