1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide

C20H30N6O2 — CID 53181633

IUPAC1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide
SMILESCC(=O)N1CCC(n2c(C)nc(C(=O)NCc3c(C)nn(C)c3C)c2C)CC1
InChIInChI=1S/C20H30N6O2/c1-12-18(13(2)24(6)23-12)11-21-20(28)19-14(3)26(15(4)22-19)17-7-9-25(10-8-17)16(5)27/h17H,7-11H2,1-6H3,(H,21,28)
InChIKeyUACITPYKHKEOCW-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.96
Rot. Bonds4

About 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide

1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide (PubChem CID 53181633) has the molecular formula C20H30N6O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide
PubChem CID53181633
Molecular FormulaC20H30N6O2
Molecular Weight386.50 g/mol
Exact Mass386.24
IUPAC Name1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide
SMILESCC(=O)N1CCC(n2c(C)nc(C(=O)NCc3c(C)nn(C)c3C)c2C)CC1
InChIInChI=1S/C20H30N6O2/c1-12-18(13(2)24(6)23-12)11-21-20(28)19-14(3)26(15(4)22-19)17-7-9-25(10-8-17)16(5)27/h17H,7-11H2,1-6H3,(H,21,28)
InChIKeyUACITPYKHKEOCW-UHFFFAOYSA-N
XLogP1.96
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide (CID 53181633) is 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide is CC(=O)N1CCC(n2c(C)nc(C(=O)NCc3c(C)nn(C)c3C)c2C)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide?
The InChIKey is UACITPYKHKEOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O2/c1-12-18(13(2)24(6)23-12)11-21-20(28)19-14(3)26(15(4)22-19)17-7-9-25(10-8-17)16(5)27/h17H,7-11H2,1-6H3,(H,21,28).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide?
1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 53181633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).