N-benzyl-4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxamide

C18H22ClN5O — CID 23577298

IUPACN-benzyl-4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(CNc2nccnc2Cl)CC1
InChIInChI=1S/C18H22ClN5O/c19-16-17(21-9-8-20-16)22-12-15-6-10-24(11-7-15)18(25)23-13-14-4-2-1-3-5-14/h1-5,8-9,15H,6-7,10-13H2,(H,21,22)(H,23,25)
InChIKeyZSPHWEDVYIKZLF-UHFFFAOYSA-N
MW359.86 g/mol
LogP3.16
Rot. Bonds5

About N-benzyl-4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxamide

N-benzyl-4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxamide (PubChem CID 23577298) has the molecular formula C18H22ClN5O and a molecular weight of 359.86 g/mol. Its IUPAC name is N-benzyl-4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxamide
PubChem CID23577298
Molecular FormulaC18H22ClN5O
Molecular Weight359.86 g/mol
Exact Mass359.15
IUPAC NameN-benzyl-4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxamide
SMILESO=C(NCc1ccccc1)N1CCC(CNc2nccnc2Cl)CC1
InChIInChI=1S/C18H22ClN5O/c19-16-17(21-9-8-20-16)22-12-15-6-10-24(11-7-15)18(25)23-13-14-4-2-1-3-5-14/h1-5,8-9,15H,6-7,10-13H2,(H,21,22)(H,23,25)
InChIKeyZSPHWEDVYIKZLF-UHFFFAOYSA-N
XLogP3.16
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxamide (CID 23577298) is N-benzyl-4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxamide is O=C(NCc1ccccc1)N1CCC(CNc2nccnc2Cl)CC1.
What is the InChIKey of N-benzyl-4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxamide?
The InChIKey is ZSPHWEDVYIKZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O/c19-16-17(21-9-8-20-16)22-12-15-6-10-24(11-7-15)18(25)23-13-14-4-2-1-3-5-14/h1-5,8-9,15H,6-7,10-13H2,(H,21,22)(H,23,25).
What are the key properties of N-benzyl-4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxamide?
N-benzyl-4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[[(3-chloropyrazin-2-yl)amino]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 23577298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).