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

C21H32N6O2 — CID 53181635

IUPAC1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]imidazole-4-carboxamide
SMILESCCCn1cc(CNC(=O)c2nc(C)n(C3CCN(C(C)=O)CC3)c2C)c(C)n1
InChIInChI=1S/C21H32N6O2/c1-6-9-26-13-18(14(2)24-26)12-22-21(29)20-15(3)27(16(4)23-20)19-7-10-25(11-8-19)17(5)28/h13,19H,6-12H2,1-5H3,(H,22,29)
InChIKeySAZPOZRHGUMZSU-UHFFFAOYSA-N
MW400.53 g/mol
LogP2.53
Rot. Bonds6

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

1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]imidazole-4-carboxamide (PubChem CID 53181635) has the molecular formula C21H32N6O2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]imidazole-4-carboxamide
PubChem CID53181635
Molecular FormulaC21H32N6O2
Molecular Weight400.53 g/mol
Exact Mass400.26
IUPAC Name1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]imidazole-4-carboxamide
SMILESCCCn1cc(CNC(=O)c2nc(C)n(C3CCN(C(C)=O)CC3)c2C)c(C)n1
InChIInChI=1S/C21H32N6O2/c1-6-9-26-13-18(14(2)24-26)12-22-21(29)20-15(3)27(16(4)23-20)19-7-10-25(11-8-19)17(5)28/h13,19H,6-12H2,1-5H3,(H,22,29)
InChIKeySAZPOZRHGUMZSU-UHFFFAOYSA-N
XLogP2.53
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 52.53
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-[(3-methyl-1-propylpyrazol-4-yl)methyl]imidazole-4-carboxamide?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]imidazole-4-carboxamide (CID 53181635) is 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]imidazole-4-carboxamide is CCCn1cc(CNC(=O)c2nc(C)n(C3CCN(C(C)=O)CC3)c2C)c(C)n1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]imidazole-4-carboxamide?
The InChIKey is SAZPOZRHGUMZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O2/c1-6-9-26-13-18(14(2)24-26)12-22-21(29)20-15(3)27(16(4)23-20)19-7-10-25(11-8-19)17(5)28/h13,19H,6-12H2,1-5H3,(H,22,29).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]imidazole-4-carboxamide?
1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[(3-methyl-1-propylpyrazol-4-yl)methyl]imidazole-4-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 2.53, 6 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-[(3-methyl-1-propylpyrazol-4-yl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 53181635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).