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

C16H29N5O — CID 56742859

IUPAC1-ethyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]methyl]urea
SMILESCCNC(=O)NCC1CCN(Cc2nc(CC)[nH]c2C)CC1
InChIInChI=1S/C16H29N5O/c1-4-15-19-12(3)14(20-15)11-21-8-6-13(7-9-21)10-18-16(22)17-5-2/h13H,4-11H2,1-3H3,(H,19,20)(H2,17,18,22)
InChIKeyZQLFARBKKICXHW-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.81
Rot. Bonds6

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

1-ethyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]methyl]urea (PubChem CID 56742859) has the molecular formula C16H29N5O and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-ethyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]methyl]urea
PubChem CID56742859
Molecular FormulaC16H29N5O
Molecular Weight307.44 g/mol
Exact Mass307.24
IUPAC Name1-ethyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]methyl]urea
SMILESCCNC(=O)NCC1CCN(Cc2nc(CC)[nH]c2C)CC1
InChIInChI=1S/C16H29N5O/c1-4-15-19-12(3)14(20-15)11-21-8-6-13(7-9-21)10-18-16(22)17-5-2/h13H,4-11H2,1-3H3,(H,19,20)(H2,17,18,22)
InChIKeyZQLFARBKKICXHW-UHFFFAOYSA-N
XLogP1.81
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]methyl]urea with MolForge

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Related Compounds

8-Cyclopentyl-1,3-dipropyl-6-thioxo-1,3,6,7-tetrahydro-purin-2-one
CID 19382381
4-ethyl-5-{1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]piperidin-3-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
CID 56712006
4-(4,5-dimethyl-1H-imidazol-2-yl)piperidine dihydrochloride
CID 86812362
1-cyclopentyl-3-[2-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]ethyl]urea
CID 95222401
4-(4,5-dimethyl-1H-imidazol-2-yl)piperidine
CID 43650718
1'-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-N-isopropyl-1,4'-bipiperidine-4-carboxamide
CID 29256294
4-[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]piperidine
CID 84774518
4-[[4-(fluoromethyl)-5-methyl-1H-imidazol-2-yl]methyl]piperidine
CID 84781847
3-{1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]-4-piperidinyl}-N-(2-methoxyethyl)propanamide
CID 26409103
N-({1-[(2-ethyl-4-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl}methyl)cyclohexanecarboxamide
CID 56706613
N-(tert-butyl)-N'-({1-[(4-methyl-1H-imidazol-5-yl)methyl]pyrrolidin-3-yl}methyl)urea
CID 56747975
1-tert-butyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]urea
CID 56749862

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]methyl]urea?
The IUPAC name of 1-ethyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]methyl]urea (CID 56742859) is 1-ethyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-ethyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-ethyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]methyl]urea is CCNC(=O)NCC1CCN(Cc2nc(CC)[nH]c2C)CC1.
What is the InChIKey of 1-ethyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]methyl]urea?
The InChIKey is ZQLFARBKKICXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N5O/c1-4-15-19-12(3)14(20-15)11-21-8-6-13(7-9-21)10-18-16(22)17-5-2/h13H,4-11H2,1-3H3,(H,19,20)(H2,17,18,22).
What are the key properties of 1-ethyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]methyl]urea?
1-ethyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]methyl]urea has a molecular weight of 307.44 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]methyl]urea is sourced from PubChem (CID 56742859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).