N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide

C23H28N4O4 — CID 55838376

IUPACN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)NC(C)C)cc2)cc1N1CCCCC1=O
InChIInChI=1S/C23H28N4O4/c1-15(2)24-23(30)26-17-9-7-16(8-10-17)22(29)25-18-11-12-20(31-3)19(14-18)27-13-5-4-6-21(27)28/h7-12,14-15H,4-6,13H2,1-3H3,(H,25,29)(H2,24,26,30)
InChIKeyYJSDRWYJJDTPQX-UHFFFAOYSA-N
MW424.50 g/mol
LogP3.99
Rot. Bonds6

About N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide

N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide (PubChem CID 55838376) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
PubChem CID55838376
Molecular FormulaC23H28N4O4
Molecular Weight424.50 g/mol
Exact Mass424.21
IUPAC NameN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide
SMILESCOc1ccc(NC(=O)c2ccc(NC(=O)NC(C)C)cc2)cc1N1CCCCC1=O
InChIInChI=1S/C23H28N4O4/c1-15(2)24-23(30)26-17-9-7-16(8-10-17)22(29)25-18-11-12-20(31-3)19(14-18)27-13-5-4-6-21(27)28/h7-12,14-15H,4-6,13H2,1-3H3,(H,25,29)(H2,24,26,30)
InChIKeyYJSDRWYJJDTPQX-UHFFFAOYSA-N
XLogP3.99
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.50
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687877
3,5-dimethoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687052
1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 95283473
3,4-dichloro-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7687099
N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18140044
4-ethoxy-N-[1-[4-methoxy-3-(2-oxopiperidin-1-yl)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55692148
4-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3-nitrobenzamide
CID 55692147
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 35389984
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 119724596
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687570
N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]-4-phenylbenzamide
CID 7687543
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3H-benzimidazole-5-carboxamide
CID 92862558

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide (CID 55838376) is N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide is COc1ccc(NC(=O)c2ccc(NC(=O)NC(C)C)cc2)cc1N1CCCCC1=O.
What is the InChIKey of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide?
The InChIKey is YJSDRWYJJDTPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-15(2)24-23(30)26-17-9-7-16(8-10-17)22(29)25-18-11-12-20(31-3)19(14-18)27-13-5-4-6-21(27)28/h7-12,14-15H,4-6,13H2,1-3H3,(H,25,29)(H2,24,26,30).
What are the key properties of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide?
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide has a molecular weight of 424.50 g/mol, XLogP of 3.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-(propan-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 55838376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).