N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide

C18H30N4O — CID 56710396

IUPACN-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide
SMILESCCc1nc(CN2CCCC(CNC(=O)C=C(C)C)C2)c(C)[nH]1
InChIInChI=1S/C18H30N4O/c1-5-17-20-14(4)16(21-17)12-22-8-6-7-15(11-22)10-19-18(23)9-13(2)3/h9,15H,5-8,10-12H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyQMSBRQXNULYXMC-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.57
Rot. Bonds6

About N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide

N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide (PubChem CID 56710396) has the molecular formula C18H30N4O and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide
PubChem CID56710396
Molecular FormulaC18H30N4O
Molecular Weight318.46 g/mol
Exact Mass318.24
IUPAC NameN-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide
SMILESCCc1nc(CN2CCCC(CNC(=O)C=C(C)C)C2)c(C)[nH]1
InChIInChI=1S/C18H30N4O/c1-5-17-20-14(4)16(21-17)12-22-8-6-7-15(11-22)10-19-18(23)9-13(2)3/h9,15H,5-8,10-12H2,1-4H3,(H,19,23)(H,20,21)
InChIKeyQMSBRQXNULYXMC-UHFFFAOYSA-N
XLogP2.57
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide?
The IUPAC name of N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide (CID 56710396) is N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide.
What is the SMILES notation for N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide?
The canonical SMILES for N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide is CCc1nc(CN2CCCC(CNC(=O)C=C(C)C)C2)c(C)[nH]1.
What is the InChIKey of N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide?
The InChIKey is QMSBRQXNULYXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-5-17-20-14(4)16(21-17)12-22-8-6-7-15(11-22)10-19-18(23)9-13(2)3/h9,15H,5-8,10-12H2,1-4H3,(H,19,23)(H,20,21).
What are the key properties of N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide?
N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide has a molecular weight of 318.46 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]-3-methylbut-2-enamide is sourced from PubChem (CID 56710396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).