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

C19H22N4O4 — CID 122019557

IUPAC4-[[[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
SMILESCOc1ccnc(N2CCN(C(=O)NCc3ccc(C(=O)O)cc3)CC2)c1
InChIInChI=1S/C19H22N4O4/c1-27-16-6-7-20-17(12-16)22-8-10-23(11-9-22)19(26)21-13-14-2-4-15(5-3-14)18(24)25/h2-7,12H,8-11,13H2,1H3,(H,21,26)(H,24,25)
InChIKeyIKZBQPZTZQVAHK-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.82
Rot. Bonds5

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

4-[[[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid (PubChem CID 122019557) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[[[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
PubChem CID122019557
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name4-[[[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
SMILESCOc1ccnc(N2CCN(C(=O)NCc3ccc(C(=O)O)cc3)CC2)c1
InChIInChI=1S/C19H22N4O4/c1-27-16-6-7-20-17(12-16)22-8-10-23(11-9-22)19(26)21-13-14-2-4-15(5-3-14)18(24)25/h2-7,12H,8-11,13H2,1H3,(H,21,26)(H,24,25)
InChIKeyIKZBQPZTZQVAHK-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-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019942
4-(4-methoxyphenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide
CID 55589473
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27516864
2-amino-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 119877691
4-(4-cyano-2-pyridinyl)-N-[(4-propan-2-yloxyphenyl)methyl]piperazine-1-carboxamide
CID 55589982
N-[[4-(methylcarbamoyl)phenyl]methyl]-4-pyridin-2-ylpiperazine-1-carboxamide
CID 134006342
2-(4-ethylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109168727
4-[[[4-(5-cyclopropyl-1H-pyrazol-3-yl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122020743
4-[4-(benzylcarbamoyl)piperazin-1-yl]benzoic acid
CID 15356133
4-[[[4-(2-methylpropanoyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019575
1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]-3-phenylprop-2-yn-1-one
CID 122144748

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid (CID 122019557) is 4-[[[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid is COc1ccnc(N2CCN(C(=O)NCc3ccc(C(=O)O)cc3)CC2)c1.
What is the InChIKey of 4-[[[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid?
The InChIKey is IKZBQPZTZQVAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-27-16-6-7-20-17(12-16)22-8-10-23(11-9-22)19(26)21-13-14-2-4-15(5-3-14)18(24)25/h2-7,12H,8-11,13H2,1H3,(H,21,26)(H,24,25).
What are the key properties of 4-[[[4-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid?
4-[[[4-(4-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-(4-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 122019557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).