4-[[[4-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid

C19H22N4O4 — CID 122019942

IUPAC4-[[[4-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
SMILESCOc1ccc(N2CCN(C(=O)NCc3ccc(C(=O)O)cc3)CC2)nc1
InChIInChI=1S/C19H22N4O4/c1-27-16-6-7-17(20-13-16)22-8-10-23(11-9-22)19(26)21-12-14-2-4-15(5-3-14)18(24)25/h2-7,13H,8-12H2,1H3,(H,21,26)(H,24,25)
InChIKeyGODJPAUAIDWRSC-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.82
Rot. Bonds5

About 4-[[[4-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid

4-[[[4-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid (PubChem CID 122019942) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[[[4-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[4-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
PubChem CID122019942
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name4-[[[4-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
SMILESCOc1ccc(N2CCN(C(=O)NCc3ccc(C(=O)O)cc3)CC2)nc1
InChIInChI=1S/C19H22N4O4/c1-27-16-6-7-17(20-13-16)22-8-10-23(11-9-22)19(26)21-12-14-2-4-15(5-3-14)18(24)25/h2-7,13H,8-12H2,1H3,(H,21,26)(H,24,25)
InChIKeyGODJPAUAIDWRSC-UHFFFAOYSA-N
XLogP1.82
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019557
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 55794733
N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27516864
4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]piperazine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155944947
N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
4-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]piperazine-1-carboxamide
CID 18285766
N-benzyl-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide
CID 23935697
N-[[4-(methylcarbamoyl)phenyl]methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 134006342
4-(5-chloro-2-pyridinyl)-N-[[4-(2,5-dihydropyrrol-1-yl)phenyl]methyl]piperazine-1-carboxamide
CID 75464215
N-[(4-methoxyphenyl)methyl]-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 38522768
6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971609
4-[4-(benzylcarbamoyl)piperazin-1-yl]benzoic acid
CID 15356133

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[4-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid (CID 122019942) is 4-[[[4-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[4-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[4-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid is COc1ccc(N2CCN(C(=O)NCc3ccc(C(=O)O)cc3)CC2)nc1.
What is the InChIKey of 4-[[[4-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid?
The InChIKey is GODJPAUAIDWRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-27-16-6-7-17(20-13-16)22-8-10-23(11-9-22)19(26)21-12-14-2-4-15(5-3-14)18(24)25/h2-7,13H,8-12H2,1H3,(H,21,26)(H,24,25).
What are the key properties of 4-[[[4-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid?
4-[[[4-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid has a molecular weight of 370.41 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 122019942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).