methyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-chlorobenzoate

C16H19ClN2O4 — CID 34160565

IUPACmethyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-chlorobenzoate
SMILESCOC(=O)c1cc(NC(=O)C2CCN(C(C)=O)CC2)ccc1Cl
InChIInChI=1S/C16H19ClN2O4/c1-10(20)19-7-5-11(6-8-19)15(21)18-12-3-4-14(17)13(9-12)16(22)23-2/h3-4,9,11H,5-8H2,1-2H3,(H,18,21)
InChIKeyFVCRDFYBVLUCPB-UHFFFAOYSA-N
MW338.79 g/mol
LogP2.32
Rot. Bonds3

About methyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-chlorobenzoate

methyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-chlorobenzoate (PubChem CID 34160565) has the molecular formula C16H19ClN2O4 and a molecular weight of 338.79 g/mol. Its IUPAC name is methyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-chlorobenzoate.

Molecular Properties

Compound Namemethyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-chlorobenzoate
PubChem CID34160565
Molecular FormulaC16H19ClN2O4
Molecular Weight338.79 g/mol
Exact Mass338.10
IUPAC Namemethyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-chlorobenzoate
SMILESCOC(=O)c1cc(NC(=O)C2CCN(C(C)=O)CC2)ccc1Cl
InChIInChI=1S/C16H19ClN2O4/c1-10(20)19-7-5-11(6-8-19)15(21)18-12-3-4-14(17)13(9-12)16(22)23-2/h3-4,9,11H,5-8H2,1-2H3,(H,18,21)
InChIKeyFVCRDFYBVLUCPB-UHFFFAOYSA-N
XLogP2.32
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-chloro-5-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 55762114
methyl 2-chloro-5-[[1-(4-methylphenyl)sulfonylpiperidine-4-carbonyl]amino]benzoate
CID 38238190
methyl 2-chloro-5-[[(3R)-1-methylpiperidine-3-carbonyl]amino]benzoate
CID 95923491
5-[(1-acetylpiperidine-4-carbonyl)amino]-2-hydroxybenzoic acid
CID 108804438
methyl 2-chloro-5-[[(3R)-1-methylsulfonylpiperidine-3-carbonyl]amino]benzoate
CID 30797828
methyl 2-chloro-5-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 34159022
1-acetyl-N-(4-amino-3,5-dichlorophenyl)piperidine-4-carboxamide
CID 43018274
methyl 2-chloro-5-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 34159016
1-acetyl-N-[4-(4-chlorophenoxy)phenyl]piperidine-4-carboxamide
CID 6468150
1-acetyl-N-(4-chloro-2,5-dimethoxyphenyl)piperidine-4-carboxamide
CID 6466145
1-acetyl-N-(2,3-dihydro-1H-inden-5-yl)piperidine-4-carboxamide
CID 6468881
1-butanoyl-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
CID 113008513

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-chlorobenzoate?
The IUPAC name of methyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-chlorobenzoate (CID 34160565) is methyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-chlorobenzoate.
What is the SMILES notation for methyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-chlorobenzoate?
The canonical SMILES for methyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-chlorobenzoate is COC(=O)c1cc(NC(=O)C2CCN(C(C)=O)CC2)ccc1Cl.
What is the InChIKey of methyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-chlorobenzoate?
The InChIKey is FVCRDFYBVLUCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O4/c1-10(20)19-7-5-11(6-8-19)15(21)18-12-3-4-14(17)13(9-12)16(22)23-2/h3-4,9,11H,5-8H2,1-2H3,(H,18,21).
What are the key properties of methyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-chlorobenzoate?
methyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-chlorobenzoate has a molecular weight of 338.79 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1-acetylpiperidine-4-carbonyl)amino]-2-chlorobenzoate is sourced from PubChem (CID 34160565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).