1-tert-butyl-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]urea

C17H31N3O2 — CID 110819716

IUPAC1-tert-butyl-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]urea
SMILESCC(C)(C)NC(=O)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-17(2,3)19-16(22)18-14-9-11-20(12-10-14)15(21)13-7-5-4-6-8-13/h13-14H,4-12H2,1-3H3,(H2,18,19,22)
InChIKeyHQFUCGXAFUHJQH-UHFFFAOYSA-N
MW309.45 g/mol
LogP2.66
Rot. Bonds2

About 1-tert-butyl-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]urea

1-tert-butyl-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]urea (PubChem CID 110819716) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 1-tert-butyl-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]urea
PubChem CID110819716
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name1-tert-butyl-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]urea
SMILESCC(C)(C)NC(=O)NC1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C17H31N3O2/c1-17(2,3)19-16(22)18-14-9-11-20(12-10-14)15(21)13-7-5-4-6-8-13/h13-14H,4-12H2,1-3H3,(H2,18,19,22)
InChIKeyHQFUCGXAFUHJQH-UHFFFAOYSA-N
XLogP2.66
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butyl-3-[(3S)-1-(cyclobutanecarbonyl)pyrrolidin-3-yl]urea
CID 95051746
1-tert-butyl-3-[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]urea
CID 95051744
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-cyclopentylurea
CID 110820027
N-tert-butyl-1-(cyclohexanecarbonyl)piperidine-4-carboxamide
CID 113005394
cyclopentyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60820118
1-tert-butyl-3-cyclobutylurea
CID 17217146
1-cyclohexyl-3-[1-(piperidine-4-carbonyl)piperidin-4-yl]urea
CID 119304273
N-[1-(cyclobutanecarbonyl)piperidin-4-yl]acetamide
CID 49348874
2,2-dichloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
CID 108563873
cis-(1R,2S)-2-(4-acetamidopiperidine-1-carbonyl)-N-tert-butylcyclohexane-1-carboxamide
CID 46984214
1-(cyclohexanecarbonyl)-N-cyclopentylpiperidine-4-carboxamide
CID 113002958
2-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]acetamide
CID 50988896

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]urea?
The IUPAC name of 1-tert-butyl-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]urea (CID 110819716) is 1-tert-butyl-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-tert-butyl-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]urea?
The canonical SMILES for 1-tert-butyl-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]urea is CC(C)(C)NC(=O)NC1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of 1-tert-butyl-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]urea?
The InChIKey is HQFUCGXAFUHJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-17(2,3)19-16(22)18-14-9-11-20(12-10-14)15(21)13-7-5-4-6-8-13/h13-14H,4-12H2,1-3H3,(H2,18,19,22).
What are the key properties of 1-tert-butyl-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]urea?
1-tert-butyl-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]urea has a molecular weight of 309.45 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[1-(cyclohexanecarbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 110819716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).