methyl 2-[[2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate

C23H27N3O4 — CID 651323

IUPACmethyl 2-[[2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN1CCC(NC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C23H27N3O4/c1-16-7-9-17(10-8-16)22(28)24-18-11-13-26(14-12-18)15-21(27)25-20-6-4-3-5-19(20)23(29)30-2/h3-10,18H,11-15H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyCYSCIEFIGJZUKN-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.61
Rot. Bonds6

About methyl 2-[[2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate

methyl 2-[[2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate (PubChem CID 651323) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is methyl 2-[[2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate
PubChem CID651323
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Namemethyl 2-[[2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)CN1CCC(NC(=O)c2ccc(C)cc2)CC1
InChIInChI=1S/C23H27N3O4/c1-16-7-9-17(10-8-16)22(28)24-18-11-13-26(14-12-18)15-21(27)25-20-6-4-3-5-19(20)23(29)30-2/h3-10,18H,11-15H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyCYSCIEFIGJZUKN-UHFFFAOYSA-N
XLogP2.61
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate (CID 651323) is methyl 2-[[2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)CN1CCC(NC(=O)c2ccc(C)cc2)CC1.
What is the InChIKey of methyl 2-[[2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate?
The InChIKey is CYSCIEFIGJZUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-16-7-9-17(10-8-16)22(28)24-18-11-13-26(14-12-18)15-21(27)25-20-6-4-3-5-19(20)23(29)30-2/h3-10,18H,11-15H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of methyl 2-[[2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate?
methyl 2-[[2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate has a molecular weight of 409.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-[4-[(4-methylbenzoyl)amino]piperidin-1-yl]acetyl]amino]benzoate is sourced from PubChem (CID 651323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).