2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-3,4,5-trimethoxybenzoic acid

C23H25FN2O7 — CID 17494724

IUPAC2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-3,4,5-trimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)c(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c(OC)c1OC
InChIInChI=1S/C23H25FN2O7/c1-31-17-12-16(23(29)30)18(20(33-3)19(17)32-2)25-21(27)13-8-10-26(11-9-13)22(28)14-4-6-15(24)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,25,27)(H,29,30)
InChIKeyDQAVMZBQFDGKLP-UHFFFAOYSA-N
MW460.46 g/mol
LogP3.04
Rot. Bonds7

About 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-3,4,5-trimethoxybenzoic acid

2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-3,4,5-trimethoxybenzoic acid (PubChem CID 17494724) has the molecular formula C23H25FN2O7 and a molecular weight of 460.46 g/mol. Its IUPAC name is 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-3,4,5-trimethoxybenzoic acid.

Molecular Properties

Compound Name2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-3,4,5-trimethoxybenzoic acid
PubChem CID17494724
Molecular FormulaC23H25FN2O7
Molecular Weight460.46 g/mol
Exact Mass460.16
IUPAC Name2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-3,4,5-trimethoxybenzoic acid
SMILESCOc1cc(C(=O)O)c(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c(OC)c1OC
InChIInChI=1S/C23H25FN2O7/c1-31-17-12-16(23(29)30)18(20(33-3)19(17)32-2)25-21(27)13-8-10-26(11-9-13)22(28)14-4-6-15(24)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,25,27)(H,29,30)
InChIKeyDQAVMZBQFDGKLP-UHFFFAOYSA-N
XLogP3.04
TPSA114.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,6-difluorophenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126094414
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 35106489
1-(4-bromobenzoyl)-N-(3,4,5-trimethoxyphenyl)piperidine-4-carboxamide
CID 26701571
N-(2,6-difluorophenyl)-1-(3,4-dimethoxybenzoyl)piperidine-4-carboxamide
CID 1005497
1-(4-fluorobenzoyl)-N-(2-methoxydibenzofuran-3-yl)piperidine-4-carboxamide
CID 26413483
N-(4-carbamoylphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126029026
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
1-(4-fluorobenzoyl)-N-[2-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 51218219
1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 801213
1-(4-fluorobenzoyl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide
CID 9268659
N-(2-ethoxyphenyl)-1-(3,4,5-trimethoxybenzoyl)piperidine-4-carboxamide
CID 126021956
1-(4-chlorobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 2295609

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-3,4,5-trimethoxybenzoic acid?
The IUPAC name of 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-3,4,5-trimethoxybenzoic acid (CID 17494724) is 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-3,4,5-trimethoxybenzoic acid.
What is the SMILES notation for 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-3,4,5-trimethoxybenzoic acid?
The canonical SMILES for 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-3,4,5-trimethoxybenzoic acid is COc1cc(C(=O)O)c(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c(OC)c1OC.
What is the InChIKey of 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-3,4,5-trimethoxybenzoic acid?
The InChIKey is DQAVMZBQFDGKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O7/c1-31-17-12-16(23(29)30)18(20(33-3)19(17)32-2)25-21(27)13-8-10-26(11-9-13)22(28)14-4-6-15(24)7-5-14/h4-7,12-13H,8-11H2,1-3H3,(H,25,27)(H,29,30).
What are the key properties of 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-3,4,5-trimethoxybenzoic acid?
2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-3,4,5-trimethoxybenzoic acid has a molecular weight of 460.46 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorobenzoyl)piperidine-4-carbonyl]amino]-3,4,5-trimethoxybenzoic acid is sourced from PubChem (CID 17494724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).