Skip to content

N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide

C24H34N5O2+ — CID 7419199

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
SMILESCCCN(CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cnc(C)cn1
InChIInChI=1S/C24H33N5O2/c1-3-12-29(24(31)22-17-25-19(2)16-26-22)15-11-23(30)27-21-9-13-28(14-10-21)18-20-7-5-4-6-8-20/h4-8,16-17,21H,3,9-15,18H2,1-2H3,(H,27,30)/p+1
InChIKeyINJYCUGFUHPGKU-UHFFFAOYSA-O
MW424.57 g/mol
LogP1.39
Rot. Bonds9

About N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide

N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide (PubChem CID 7419199) has the molecular formula C24H34N5O2+ and a molecular weight of 424.57 g/mol. Its IUPAC name is N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
PubChem CID7419199
Molecular FormulaC24H34N5O2+
Molecular Weight424.57 g/mol
Exact Mass424.27
IUPAC NameN-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
SMILESCCCN(CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cnc(C)cn1
InChIInChI=1S/C24H33N5O2/c1-3-12-29(24(31)22-17-25-19(2)16-26-22)15-11-23(30)27-21-9-13-28(14-10-21)18-20-7-5-4-6-8-20/h4-8,16-17,21H,3,9-15,18H2,1-2H3,(H,27,30)/p+1
InChIKeyINJYCUGFUHPGKU-UHFFFAOYSA-O
XLogP1.39
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.57
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide?
The IUPAC name of N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide (CID 7419199) is N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide is CCCN(CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(=O)c1cnc(C)cn1.
What is the InChIKey of N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide?
The InChIKey is INJYCUGFUHPGKU-UHFFFAOYSA-O. The full InChI is InChI=1S/C24H33N5O2/c1-3-12-29(24(31)22-17-25-19(2)16-26-22)15-11-23(30)27-21-9-13-28(14-10-21)18-20-7-5-4-6-8-20/h4-8,16-17,21H,3,9-15,18H2,1-2H3,(H,27,30)/p+1.
What are the key properties of N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide?
N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide has a molecular weight of 424.57 g/mol, XLogP of 1.39, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide is sourced from PubChem (CID 7419199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.