1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide

C23H39N5O2 — CID 53181669

IUPAC1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide
SMILESCC(=O)N1CCC(n2c(C)nc(C(=O)NCCC3CCN(C(C)C)CC3)c2C)CC1
InChIInChI=1S/C23H39N5O2/c1-16(2)26-12-7-20(8-13-26)6-11-24-23(30)22-17(3)28(18(4)25-22)21-9-14-27(15-10-21)19(5)29/h16,20-21H,6-15H2,1-5H3,(H,24,30)
InChIKeyKIJOZRKPEFVLEQ-UHFFFAOYSA-N
MW417.60 g/mol
LogP2.92
Rot. Bonds6

About 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide

1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide (PubChem CID 53181669) has the molecular formula C23H39N5O2 and a molecular weight of 417.60 g/mol. Its IUPAC name is 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide
PubChem CID53181669
Molecular FormulaC23H39N5O2
Molecular Weight417.60 g/mol
Exact Mass417.31
IUPAC Name1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide
SMILESCC(=O)N1CCC(n2c(C)nc(C(=O)NCCC3CCN(C(C)C)CC3)c2C)CC1
InChIInChI=1S/C23H39N5O2/c1-16(2)26-12-7-20(8-13-26)6-11-24-23(30)22-17(3)28(18(4)25-22)21-9-14-27(15-10-21)19(5)29/h16,20-21H,6-15H2,1-5H3,(H,24,30)
InChIKeyKIJOZRKPEFVLEQ-UHFFFAOYSA-N
XLogP2.92
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.60
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide?
The IUPAC name of 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide (CID 53181669) is 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide is CC(=O)N1CCC(n2c(C)nc(C(=O)NCCC3CCN(C(C)C)CC3)c2C)CC1.
What is the InChIKey of 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide?
The InChIKey is KIJOZRKPEFVLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5O2/c1-16(2)26-12-7-20(8-13-26)6-11-24-23(30)22-17(3)28(18(4)25-22)21-9-14-27(15-10-21)19(5)29/h16,20-21H,6-15H2,1-5H3,(H,24,30).
What are the key properties of 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide?
1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide has a molecular weight of 417.60 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-acetylpiperidin-4-yl)-2,5-dimethyl-N-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 53181669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).