2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid

C18H20N4O3 — CID 110397212

IUPAC2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C18H20N4O3/c23-17(24)15-7-4-8-19-16(15)21-9-11-22(12-10-21)18(25)20-13-14-5-2-1-3-6-14/h1-8H,9-13H2,(H,20,25)(H,23,24)
InChIKeyNLNJPIDFXDKLPN-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.81
Rot. Bonds4

About 2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid

2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid (PubChem CID 110397212) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid
PubChem CID110397212
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1N1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C18H20N4O3/c23-17(24)15-7-4-8-19-16(15)21-9-11-22(12-10-21)18(25)20-13-14-5-2-1-3-6-14/h1-8H,9-13H2,(H,20,25)(H,23,24)
InChIKeyNLNJPIDFXDKLPN-UHFFFAOYSA-N
XLogP1.81
TPSA85.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-benzylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 18536294
N-benzyl-2-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 30458417
2-[[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]methyl]benzoic acid
CID 154843508
methyl 2-[4-(benzylcarbamoyl)piperazin-1-yl]benzoate
CID 113106604
N-[(3-fluorophenyl)methyl]-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 46084660
4-[4-(benzylcarbamoyl)piperazin-1-yl]benzoic acid
CID 15356133
N-benzylazonane-1-carboxamide
CID 130689649
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
N-benzyl-4-(4-bromophenyl)piperazine-1-carboxamide
CID 113106592
2-[4-(2-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397164
4-[3-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 71843277
N-benzyl-4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxamide
CID 110642272

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid (CID 110397212) is 2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid is O=C(O)c1cccnc1N1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of 2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is NLNJPIDFXDKLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-17(24)15-7-4-8-19-16(15)21-9-11-22(12-10-21)18(25)20-13-14-5-2-1-3-6-14/h1-8H,9-13H2,(H,20,25)(H,23,24).
What are the key properties of 2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid?
2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 110397212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).