2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide

C22H27N3O2 — CID 22831106

IUPAC2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide
SMILESCc1ccccc1C(=O)NCCC(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C22H27N3O2/c1-17-9-3-4-10-18(17)22(27)23-14-13-21(26)24-19-11-5-6-12-20(19)25-15-7-2-8-16-25/h3-6,9-12H,2,7-8,13-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyUDHRJBVIHXLLPK-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.74
Rot. Bonds6

About 2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide

2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide (PubChem CID 22831106) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide
PubChem CID22831106
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide
SMILESCc1ccccc1C(=O)NCCC(=O)Nc1ccccc1N1CCCCC1
InChIInChI=1S/C22H27N3O2/c1-17-9-3-4-10-18(17)22(27)23-14-13-21(26)24-19-11-5-6-12-20(19)25-15-7-2-8-16-25/h3-6,9-12H,2,7-8,13-16H2,1H3,(H,23,27)(H,24,26)
InChIKeyUDHRJBVIHXLLPK-UHFFFAOYSA-N
XLogP3.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide?
The IUPAC name of 2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide (CID 22831106) is 2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide.
What is the SMILES notation for 2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide?
The canonical SMILES for 2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide is Cc1ccccc1C(=O)NCCC(=O)Nc1ccccc1N1CCCCC1.
What is the InChIKey of 2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide?
The InChIKey is UDHRJBVIHXLLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17-9-3-4-10-18(17)22(27)23-14-13-21(26)24-19-11-5-6-12-20(19)25-15-7-2-8-16-25/h3-6,9-12H,2,7-8,13-16H2,1H3,(H,23,27)(H,24,26).
What are the key properties of 2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide?
2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide has a molecular weight of 365.48 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-oxo-3-(2-piperidin-1-ylanilino)propyl]benzamide is sourced from PubChem (CID 22831106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).