2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]imidazole-4-carboxamide

C21H37N5O — CID 53181565

IUPAC2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]imidazole-4-carboxamide
SMILESCc1nc(C(=O)NCCCN2CCC(C)CC2)c(C)n1C1CCN(C)CC1
InChIInChI=1S/C21H37N5O/c1-16-6-14-25(15-7-16)11-5-10-22-21(27)20-17(2)26(18(3)23-20)19-8-12-24(4)13-9-19/h16,19H,5-15H2,1-4H3,(H,22,27)
InChIKeyWUWRFUSJZXTFQO-UHFFFAOYSA-N
MW375.56 g/mol
LogP2.62
Rot. Bonds6

About 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]imidazole-4-carboxamide

2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]imidazole-4-carboxamide (PubChem CID 53181565) has the molecular formula C21H37N5O and a molecular weight of 375.56 g/mol. Its IUPAC name is 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]imidazole-4-carboxamide
PubChem CID53181565
Molecular FormulaC21H37N5O
Molecular Weight375.56 g/mol
Exact Mass375.30
IUPAC Name2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]imidazole-4-carboxamide
SMILESCc1nc(C(=O)NCCCN2CCC(C)CC2)c(C)n1C1CCN(C)CC1
InChIInChI=1S/C21H37N5O/c1-16-6-14-25(15-7-16)11-5-10-22-21(27)20-17(2)26(18(3)23-20)19-8-12-24(4)13-9-19/h16,19H,5-15H2,1-4H3,(H,22,27)
InChIKeyWUWRFUSJZXTFQO-UHFFFAOYSA-N
XLogP2.62
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.56
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]imidazole-4-carboxamide?
The IUPAC name of 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]imidazole-4-carboxamide (CID 53181565) is 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]imidazole-4-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]imidazole-4-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]imidazole-4-carboxamide is Cc1nc(C(=O)NCCCN2CCC(C)CC2)c(C)n1C1CCN(C)CC1.
What is the InChIKey of 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]imidazole-4-carboxamide?
The InChIKey is WUWRFUSJZXTFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O/c1-16-6-14-25(15-7-16)11-5-10-22-21(27)20-17(2)26(18(3)23-20)19-8-12-24(4)13-9-19/h16,19H,5-15H2,1-4H3,(H,22,27).
What are the key properties of 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]imidazole-4-carboxamide?
2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]imidazole-4-carboxamide has a molecular weight of 375.56 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(1-methylpiperidin-4-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]imidazole-4-carboxamide is sourced from PubChem (CID 53181565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).