N-[(3-butyl-4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(2-morpholin-4-ylethoxy)benzamide

C33H54N4O5 — CID 129108729

IUPACN-[(3-butyl-4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(2-morpholin-4-ylethoxy)benzamide
SMILESCCCCC1(CNC(=O)c2cc(OCCN3CCOCC3)cc(N(CC)C3CCOCC3)c2C)C(=O)NC(C)CC1C
InChIInChI=1S/C33H54N4O5/c1-6-8-11-33(24(3)20-25(4)35-32(33)39)23-34-31(38)29-21-28(42-19-14-36-12-17-41-18-13-36)22-30(26(29)5)37(7-2)27-9-15-40-16-10-27/h21-22,24-25,27H,6-20,23H2,1-5H3,(H,34,38)(H,35,39)
InChIKeyVBCUTLCDDURQDG-UHFFFAOYSA-N
MW586.82 g/mol
LogP4.16
Rot. Bonds13

About N-[(3-butyl-4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(2-morpholin-4-ylethoxy)benzamide

N-[(3-butyl-4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(2-morpholin-4-ylethoxy)benzamide (PubChem CID 129108729) has the molecular formula C33H54N4O5 and a molecular weight of 586.82 g/mol. Its IUPAC name is N-[(3-butyl-4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(2-morpholin-4-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[(3-butyl-4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(2-morpholin-4-ylethoxy)benzamide
PubChem CID129108729
Molecular FormulaC33H54N4O5
Molecular Weight586.82 g/mol
Exact Mass586.41
IUPAC NameN-[(3-butyl-4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(2-morpholin-4-ylethoxy)benzamide
SMILESCCCCC1(CNC(=O)c2cc(OCCN3CCOCC3)cc(N(CC)C3CCOCC3)c2C)C(=O)NC(C)CC1C
InChIInChI=1S/C33H54N4O5/c1-6-8-11-33(24(3)20-25(4)35-32(33)39)23-34-31(38)29-21-28(42-19-14-36-12-17-41-18-13-36)22-30(26(29)5)37(7-2)27-9-15-40-16-10-27/h21-22,24-25,27H,6-20,23H2,1-5H3,(H,34,38)(H,35,39)
InChIKeyVBCUTLCDDURQDG-UHFFFAOYSA-N
XLogP4.16
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.82
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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
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 3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[3-(morpholine-4-carbonyl)cyclobutyl]oxybenzoate
CID 146351654
N-[(2,4-dimethyl-6-oxo-2,3-dihydro-1H-pyridin-5-yl)methyl]-5-[4-[4-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyethoxy]ethyl]piperazin-1-yl]phenyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
CID 135167770
[3-[ethyl(oxan-4-yl)amino]-4-methyl-5-[(1-methyl-3-oxo-5,6,7,8-tetrahydro-2H-isoquinolin-4-yl)methylcarbamoyl]phenoxy]-hydroxy-oxophosphanium
CID 118255999
5-chloro-3-[ethyl(oxan-4-yl)amino]-2-methyl-N-[(1-methylimidazol-4-yl)methyl]benzamide
CID 86288041
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
benzyl 4-[3-[4-[3-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-5-[ethyl(oxan-4-yl)amino]-4-methylphenyl]phenoxy]propyl]piperazine-1-carboxylate
CID 135167722
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
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-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[3-(4-methylsulfonylpiperazin-1-yl)cyclobutyl]oxybenzamide
CID 146351801
3-[ethyl(oxan-4-yl)amino]-5-[4-(2-methoxyethoxy)phenyl]-2-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 130276635

Frequently Asked Questions

What is the IUPAC name of N-[(3-butyl-4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(2-morpholin-4-ylethoxy)benzamide?
The IUPAC name of N-[(3-butyl-4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(2-morpholin-4-ylethoxy)benzamide (CID 129108729) is N-[(3-butyl-4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(2-morpholin-4-ylethoxy)benzamide.
What is the SMILES notation for N-[(3-butyl-4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(2-morpholin-4-ylethoxy)benzamide?
The canonical SMILES for N-[(3-butyl-4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(2-morpholin-4-ylethoxy)benzamide is CCCCC1(CNC(=O)c2cc(OCCN3CCOCC3)cc(N(CC)C3CCOCC3)c2C)C(=O)NC(C)CC1C.
What is the InChIKey of N-[(3-butyl-4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(2-morpholin-4-ylethoxy)benzamide?
The InChIKey is VBCUTLCDDURQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H54N4O5/c1-6-8-11-33(24(3)20-25(4)35-32(33)39)23-34-31(38)29-21-28(42-19-14-36-12-17-41-18-13-36)22-30(26(29)5)37(7-2)27-9-15-40-16-10-27/h21-22,24-25,27H,6-20,23H2,1-5H3,(H,34,38)(H,35,39).
What are the key properties of N-[(3-butyl-4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(2-morpholin-4-ylethoxy)benzamide?
N-[(3-butyl-4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(2-morpholin-4-ylethoxy)benzamide has a molecular weight of 586.82 g/mol, XLogP of 4.16, 13 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-butyl-4,6-dimethyl-2-oxopiperidin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-(2-morpholin-4-ylethoxy)benzamide is sourced from PubChem (CID 129108729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).