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

C18H33N5O — CID 56749862

IUPAC1-tert-butyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]urea
SMILESCCc1nc(CN2CCCC(CNC(=O)NC(C)(C)C)C2)c(C)[nH]1
InChIInChI=1S/C18H33N5O/c1-6-16-20-13(2)15(21-16)12-23-9-7-8-14(11-23)10-19-17(24)22-18(3,4)5/h14H,6-12H2,1-5H3,(H,20,21)(H2,19,22,24)
InChIKeySDELRAHAYVYVFK-UHFFFAOYSA-N
MW335.50 g/mol
LogP2.59
Rot. Bonds5

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

1-tert-butyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]urea (PubChem CID 56749862) has the molecular formula C18H33N5O and a molecular weight of 335.50 g/mol. Its IUPAC name is 1-tert-butyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]urea
PubChem CID56749862
Molecular FormulaC18H33N5O
Molecular Weight335.50 g/mol
Exact Mass335.27
IUPAC Name1-tert-butyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]urea
SMILESCCc1nc(CN2CCCC(CNC(=O)NC(C)(C)C)C2)c(C)[nH]1
InChIInChI=1S/C18H33N5O/c1-6-16-20-13(2)15(21-16)12-23-9-7-8-14(11-23)10-19-17(24)22-18(3,4)5/h14H,6-12H2,1-5H3,(H,20,21)(H2,19,22,24)
InChIKeySDELRAHAYVYVFK-UHFFFAOYSA-N
XLogP2.59
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

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
1-cyclopentyl-3-[2-[(3R)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]ethyl]urea
CID 95222401
Sdccgsbi-0116861.P001
CID 29256294
3-[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-4-yl]-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
3-Cyclopropylmethyl-8-isopropyl-N6-propyl-isoguanine
CID 12050168
8-Cyclopropyl-3, N6-diethyl-isoguanine
CID 12050169
6-Amino-8-cyclopropyl-3-ethyl-6-(ethylamino)-1,7-dihydropurin-2-one;hydrochloride
CID 18700286
6-Amino-8-cyclopropyl-3-ethyl-6-(ethylamino)-1,7-dihydropurin-2-one
CID 18700287
6-Amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one;hydrochloride
CID 18700288
6-Amino-3-(cyclopropylmethyl)-8-propan-2-yl-6-(propylamino)-1,7-dihydropurin-2-one
CID 18700289

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]urea?
The IUPAC name of 1-tert-butyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]urea (CID 56749862) is 1-tert-butyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]urea?
The canonical SMILES for 1-tert-butyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]urea is CCc1nc(CN2CCCC(CNC(=O)NC(C)(C)C)C2)c(C)[nH]1.
What is the InChIKey of 1-tert-butyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]urea?
The InChIKey is SDELRAHAYVYVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O/c1-6-16-20-13(2)15(21-16)12-23-9-7-8-14(11-23)10-19-17(24)22-18(3,4)5/h14H,6-12H2,1-5H3,(H,20,21)(H2,19,22,24).
What are the key properties of 1-tert-butyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]urea?
1-tert-butyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]urea has a molecular weight of 335.50 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[[1-[(2-ethyl-5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]methyl]urea is sourced from PubChem (CID 56749862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).