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

C16H24N4O2 — CID 110821121

IUPAC1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
SMILESCC(C)(C)NC(=O)NC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C16H24N4O2/c1-16(2,3)19-15(22)18-13-6-9-20(10-7-13)14(21)12-5-4-8-17-11-12/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H2,18,19,22)
InChIKeyZTJSZPOAXPTBGE-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.78
Rot. Bonds2

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

1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea (PubChem CID 110821121) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
PubChem CID110821121
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
SMILESCC(C)(C)NC(=O)NC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C16H24N4O2/c1-16(2,3)19-15(22)18-13-6-9-20(10-7-13)14(21)12-5-4-8-17-11-12/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H2,18,19,22)
InChIKeyZTJSZPOAXPTBGE-UHFFFAOYSA-N
XLogP1.78
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 110821123
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 108563311
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108563315
1-tert-butyl-3-[1-[3-(dimethylamino)benzoyl]piperidin-4-yl]urea
CID 110821537
2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108549584
1-[(1R,2R)-2-methylcyclopropyl]-3-[(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]urea
CID 97227779
2,6-dimethoxy-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 108549740
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108924891
2,2-dimethyl-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 84550110
2-(1,3-dioxoisoindol-2-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108551944
pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185338

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea?
The IUPAC name of 1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea (CID 110821121) is 1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea?
The canonical SMILES for 1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea is CC(C)(C)NC(=O)NC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea?
The InChIKey is ZTJSZPOAXPTBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-16(2,3)19-15(22)18-13-6-9-20(10-7-13)14(21)12-5-4-8-17-11-12/h4-5,8,11,13H,6-7,9-10H2,1-3H3,(H2,18,19,22).
What are the key properties of 1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea?
1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea has a molecular weight of 304.39 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 110821121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).