1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea

C17H26N4O2 — CID 110821123

IUPAC1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
SMILESCC(C)(C)CNC(=O)NC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C17H26N4O2/c1-17(2,3)12-19-16(23)20-14-6-9-21(10-7-14)15(22)13-5-4-8-18-11-13/h4-5,8,11,14H,6-7,9-10,12H2,1-3H3,(H2,19,20,23)
InChIKeyOJSKACTXOMYFOM-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.03
Rot. Bonds3

About 1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea

1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea (PubChem CID 110821123) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
PubChem CID110821123
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
SMILESCC(C)(C)CNC(=O)NC1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C17H26N4O2/c1-17(2,3)12-19-16(23)20-14-6-9-21(10-7-14)15(22)13-5-4-8-18-11-13/h4-5,8,11,14H,6-7,9-10,12H2,1-3H3,(H2,19,20,23)
InChIKeyOJSKACTXOMYFOM-UHFFFAOYSA-N
XLogP2.03
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 110821121
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108563315
2-chloro-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 108563311
2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108549584
2,6-dimethoxy-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 108549740
1-[(1R,2R)-2-methylcyclopropyl]-3-[(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]urea
CID 97227779
2-(2-bromophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108924891
1-ethyl-3-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]urea
CID 90521465
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
2-(1,3-dioxoisoindol-2-yl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108551944
N'-cycloheptyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]oxamide
CID 90520980
pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185338

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea?
The IUPAC name of 1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea (CID 110821123) is 1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea?
The canonical SMILES for 1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea is CC(C)(C)CNC(=O)NC1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea?
The InChIKey is OJSKACTXOMYFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-17(2,3)12-19-16(23)20-14-6-9-21(10-7-14)15(22)13-5-4-8-18-11-13/h4-5,8,11,14H,6-7,9-10,12H2,1-3H3,(H2,19,20,23).
What are the key properties of 1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea?
1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea has a molecular weight of 318.42 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 110821123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).