6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide;1-chloro-4-methylbenzene

C40H45ClN4O6 — CID 142941883

IUPAC6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide;1-chloro-4-methylbenzene
SMILESCC(=O)N(C)c1ccc2oc(C(=O)NC(C)C(=O)N3CCC(c4ccccc4CN4CCCCC4=O)CC3)cc(=O)c2c1.Cc1ccc(Cl)cc1
InChIInChI=1S/C33H38N4O6.C7H7Cl/c1-21(34-32(41)30-19-28(39)27-18-25(35(3)22(2)38)11-12-29(27)43-30)33(42)36-16-13-23(14-17-36)26-9-5-4-8-24(26)20-37-15-7-6-10-31(37)40;1-6-2-4-7(8)5-3-6/h4-5,8-9,11-12,18-19,21,23H,6-7,10,13-17,20H2,1-3H3,(H,34,41);2-5H,1H3
InChIKeyAIMLFPCPBDVBGD-UHFFFAOYSA-N
MW713.28 g/mol
LogP6.46
Rot. Bonds7

About 6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide;1-chloro-4-methylbenzene

6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide;1-chloro-4-methylbenzene (PubChem CID 142941883) has the molecular formula C40H45ClN4O6 and a molecular weight of 713.28 g/mol. Its IUPAC name is 6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide;1-chloro-4-methylbenzene.

Molecular Properties

Compound Name6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide;1-chloro-4-methylbenzene
PubChem CID142941883
Molecular FormulaC40H45ClN4O6
Molecular Weight713.28 g/mol
Exact Mass712.30
IUPAC Name6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide;1-chloro-4-methylbenzene
SMILESCC(=O)N(C)c1ccc2oc(C(=O)NC(C)C(=O)N3CCC(c4ccccc4CN4CCCCC4=O)CC3)cc(=O)c2c1.Cc1ccc(Cl)cc1
InChIInChI=1S/C33H38N4O6.C7H7Cl/c1-21(34-32(41)30-19-28(39)27-18-25(35(3)22(2)38)11-12-29(27)43-30)33(42)36-16-13-23(14-17-36)26-9-5-4-8-24(26)20-37-15-7-6-10-31(37)40;1-6-2-4-7(8)5-3-6/h4-5,8-9,11-12,18-19,21,23H,6-7,10,13-17,20H2,1-3H3,(H,34,41);2-5H,1H3
InChIKeyAIMLFPCPBDVBGD-UHFFFAOYSA-N
XLogP6.46
TPSA120.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500713.28
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide;1-chloro-4-methylbenzene with MolForge

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Related Compounds

6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide
CID 142941884
1-chloro-4-methylbenzene;7-chloro-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide
CID 142941838
N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-(dimethylamino)-4-oxochromene-2-carboxamide
CID 58768416
6-chloro-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide
CID 58768392
6-[acetyl(methyl)amino]-N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperazin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide
CID 58768255
N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-fluoro-4-oxochromene-2-carboxamide
CID 58768110
N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-ethyl-4-oxochromene-2-carboxamide
CID 58768155
N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxoazepan-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-4-oxochromene-2-carboxamide
CID 58768328
N-[(2S)-1-(4-chlorophenyl)-3-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]cyclohexylidene]propan-2-yl]-6-(dimethylamino)-4-oxochromene-2-carboxamide
CID 58917638
N-[(2S)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-methoxy-4-oxochromene-2-carboxamide
CID 58768120
N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-cyclopentyl-4-oxochromene-2-carboxamide
CID 58768096
N-[(2R)-3-(4-chlorophenyl)-1-oxo-1-[4-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]-6-ethoxy-4-oxochromene-2-carboxamide
CID 58768417

Frequently Asked Questions

What is the IUPAC name of 6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide;1-chloro-4-methylbenzene?
The IUPAC name of 6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide;1-chloro-4-methylbenzene (CID 142941883) is 6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide;1-chloro-4-methylbenzene.
What is the SMILES notation for 6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide;1-chloro-4-methylbenzene?
The canonical SMILES for 6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide;1-chloro-4-methylbenzene is CC(=O)N(C)c1ccc2oc(C(=O)NC(C)C(=O)N3CCC(c4ccccc4CN4CCCCC4=O)CC3)cc(=O)c2c1.Cc1ccc(Cl)cc1.
What is the InChIKey of 6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide;1-chloro-4-methylbenzene?
The InChIKey is AIMLFPCPBDVBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O6.C7H7Cl/c1-21(34-32(41)30-19-28(39)27-18-25(35(3)22(2)38)11-12-29(27)43-30)33(42)36-16-13-23(14-17-36)26-9-5-4-8-24(26)20-37-15-7-6-10-31(37)40;1-6-2-4-7(8)5-3-6/h4-5,8-9,11-12,18-19,21,23H,6-7,10,13-17,20H2,1-3H3,(H,34,41);2-5H,1H3.
What are the key properties of 6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide;1-chloro-4-methylbenzene?
6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide;1-chloro-4-methylbenzene has a molecular weight of 713.28 g/mol, XLogP of 6.46, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide;1-chloro-4-methylbenzene is sourced from PubChem (CID 142941883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).