1-tert-butyl-3-[1-[1-(2-ethyl-1H-imidazole-5-carbonyl)piperidin-3-yl]ethyl]urea

C18H31N5O2 — CID 75376554

IUPAC1-tert-butyl-3-[1-[1-(2-ethyl-1H-imidazole-5-carbonyl)piperidin-3-yl]ethyl]urea
SMILESCCc1ncc(C(=O)N2CCCC(C(C)NC(=O)NC(C)(C)C)C2)[nH]1
InChIInChI=1S/C18H31N5O2/c1-6-15-19-10-14(21-15)16(24)23-9-7-8-13(11-23)12(2)20-17(25)22-18(3,4)5/h10,12-13H,6-9,11H2,1-5H3,(H,19,21)(H2,20,22,25)
InChIKeyVWEKRFWVOHLVIH-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.31
Rot. Bonds4

About 1-tert-butyl-3-[1-[1-(2-ethyl-1H-imidazole-5-carbonyl)piperidin-3-yl]ethyl]urea

1-tert-butyl-3-[1-[1-(2-ethyl-1H-imidazole-5-carbonyl)piperidin-3-yl]ethyl]urea (PubChem CID 75376554) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-tert-butyl-3-[1-[1-(2-ethyl-1H-imidazole-5-carbonyl)piperidin-3-yl]ethyl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[1-[1-(2-ethyl-1H-imidazole-5-carbonyl)piperidin-3-yl]ethyl]urea
PubChem CID75376554
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name1-tert-butyl-3-[1-[1-(2-ethyl-1H-imidazole-5-carbonyl)piperidin-3-yl]ethyl]urea
SMILESCCc1ncc(C(=O)N2CCCC(C(C)NC(=O)NC(C)(C)C)C2)[nH]1
InChIInChI=1S/C18H31N5O2/c1-6-15-19-10-14(21-15)16(24)23-9-7-8-13(11-23)12(2)20-17(25)22-18(3,4)5/h10,12-13H,6-9,11H2,1-5H3,(H,19,21)(H2,20,22,25)
InChIKeyVWEKRFWVOHLVIH-UHFFFAOYSA-N
XLogP2.31
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-[(1S)-1-[(3S)-1-(thiadiazole-5-carbonyl)piperidin-3-yl]ethyl]urea
CID 97086141
1-tert-butyl-3-[(1R)-1-[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]ethyl]urea
CID 95632696
1-tert-butyl-3-[(1S)-1-[(3R)-1-(2-fluorobenzoyl)piperidin-3-yl]ethyl]urea
CID 95632703
1-tert-butyl-3-[(1S)-1-[(3R)-1-(1-methylcyclopentanecarbonyl)piperidin-3-yl]ethyl]urea
CID 95981063
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-tert-butyl-5-ethylpyrazol-4-yl)methanone
CID 125146165
1-tert-butyl-3-[(1S)-1-[(3S)-piperidin-3-yl]ethyl]urea
CID 93096345
[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone
CID 95772529
3-hydroxy-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-1-carboxamide
CID 111841012
(2-ethyl-1H-imidazol-5-yl)-[2-(2-hydroxy-2-phenylethyl)pyrrolidin-1-yl]methanone
CID 111781389
[2-(azepan-1-yl)-2-oxoethyl] 2-ethyl-1H-imidazole-5-carboxylate
CID 75395343
1-tert-butyl-3-(1-pyrrolidin-3-ylethyl)urea
CID 103977252
[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(1-tert-butyl-5-methylpyrazol-4-yl)methanone
CID 124591955

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[1-[1-(2-ethyl-1H-imidazole-5-carbonyl)piperidin-3-yl]ethyl]urea?
The IUPAC name of 1-tert-butyl-3-[1-[1-(2-ethyl-1H-imidazole-5-carbonyl)piperidin-3-yl]ethyl]urea (CID 75376554) is 1-tert-butyl-3-[1-[1-(2-ethyl-1H-imidazole-5-carbonyl)piperidin-3-yl]ethyl]urea.
What is the SMILES notation for 1-tert-butyl-3-[1-[1-(2-ethyl-1H-imidazole-5-carbonyl)piperidin-3-yl]ethyl]urea?
The canonical SMILES for 1-tert-butyl-3-[1-[1-(2-ethyl-1H-imidazole-5-carbonyl)piperidin-3-yl]ethyl]urea is CCc1ncc(C(=O)N2CCCC(C(C)NC(=O)NC(C)(C)C)C2)[nH]1.
What is the InChIKey of 1-tert-butyl-3-[1-[1-(2-ethyl-1H-imidazole-5-carbonyl)piperidin-3-yl]ethyl]urea?
The InChIKey is VWEKRFWVOHLVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-6-15-19-10-14(21-15)16(24)23-9-7-8-13(11-23)12(2)20-17(25)22-18(3,4)5/h10,12-13H,6-9,11H2,1-5H3,(H,19,21)(H2,20,22,25).
What are the key properties of 1-tert-butyl-3-[1-[1-(2-ethyl-1H-imidazole-5-carbonyl)piperidin-3-yl]ethyl]urea?
1-tert-butyl-3-[1-[1-(2-ethyl-1H-imidazole-5-carbonyl)piperidin-3-yl]ethyl]urea has a molecular weight of 349.48 g/mol, XLogP of 2.31, 4 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-[1-(2-ethyl-1H-imidazole-5-carbonyl)piperidin-3-yl]ethyl]urea is sourced from PubChem (CID 75376554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).