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

C18H32N4O2 — CID 26409103

IUPAC3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCCc1nc(CN2CCC(CCC(=O)NCCOC)CC2)c(C)[nH]1
InChIInChI=1S/C18H32N4O2/c1-4-17-20-14(2)16(21-17)13-22-10-7-15(8-11-22)5-6-18(23)19-9-12-24-3/h15H,4-13H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyAQFHZNBWOSTZEV-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.04
Rot. Bonds9

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

3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide (PubChem CID 26409103) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
PubChem CID26409103
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide
SMILESCCc1nc(CN2CCC(CCC(=O)NCCOC)CC2)c(C)[nH]1
InChIInChI=1S/C18H32N4O2/c1-4-17-20-14(2)16(21-17)13-22-10-7-15(8-11-22)5-6-18(23)19-9-12-24-3/h15H,4-13H2,1-3H3,(H,19,23)(H,20,21)
InChIKeyAQFHZNBWOSTZEV-UHFFFAOYSA-N
XLogP2.04
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42513458
1'-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-N-isopropyl-1,4'-bipiperidine-4-carboxamide
CID 29256294
3-{1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-4-piperidinyl}-N-(tetrahydro-2-furanylmethyl)propanamide
CID 45222581
N-({1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl}methyl)cyclohexanecarboxamide
CID 56706613
1-tert-butyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]urea
CID 56749862
3-(cyclohexylmethyl)-1-(2-methoxyethyl)-9-[(5-methyl-1H-imidazol-4-yl)methyl]-1,4,9-triazaspiro[5.5]undecane-2,5-dione
CID 21926645
5-methyl-4-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]-1H-imidazole-2-carbonitrile
CID 71113075
(3S)-1-[(2S)-1-[4-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685502
(3S)-1-[1-[4-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]piperidin-1-yl]-4-methyl-1-oxopentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685503
3-isobutyl-1-(2-methoxyethyl)-8-[(4-methyl-1H-imidazol-5-yl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26231528
3-[(3S)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 28393462
3-[(3R)-1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 28393465

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide (CID 26409103) is 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide is CCc1nc(CN2CCC(CCC(=O)NCCOC)CC2)c(C)[nH]1.
What is the InChIKey of 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
The InChIKey is AQFHZNBWOSTZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-4-17-20-14(2)16(21-17)13-22-10-7-15(8-11-22)5-6-18(23)19-9-12-24-3/h15H,4-13H2,1-3H3,(H,19,23)(H,20,21).
What are the key properties of 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide?
3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide has a molecular weight of 336.48 g/mol, XLogP of 2.04, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 26409103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).