N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide

C17H30N4O — CID 72847742

IUPACN-[1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCCC(NC(=O)CC1CCN(C(C)C)CC1)c1ncc(C)[nH]1
InChIInChI=1S/C17H30N4O/c1-5-15(17-18-11-13(4)19-17)20-16(22)10-14-6-8-21(9-7-14)12(2)3/h11-12,14-15H,5-10H2,1-4H3,(H,18,19)(H,20,22)
InChIKeyPGHMEHQHMRFWIV-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.80
Rot. Bonds6

About N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide

N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 72847742) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID72847742
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN-[1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCCC(NC(=O)CC1CCN(C(C)C)CC1)c1ncc(C)[nH]1
InChIInChI=1S/C17H30N4O/c1-5-15(17-18-11-13(4)19-17)20-16(22)10-14-6-8-21(9-7-14)12(2)3/h11-12,14-15H,5-10H2,1-4H3,(H,18,19)(H,20,22)
InChIKeyPGHMEHQHMRFWIV-UHFFFAOYSA-N
XLogP2.80
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 72847742) is N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is CCC(NC(=O)CC1CCN(C(C)C)CC1)c1ncc(C)[nH]1.
What is the InChIKey of N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is PGHMEHQHMRFWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O/c1-5-15(17-18-11-13(4)19-17)20-16(22)10-14-6-8-21(9-7-14)12(2)3/h11-12,14-15H,5-10H2,1-4H3,(H,18,19)(H,20,22).
What are the key properties of N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 306.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 72847742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).