3-[1-(4-chloro-3-cyanobenzoyl)piperidin-4-yl]-1,1-dimethylurea

C16H19ClN4O2 — CID 146109714

IUPAC3-[1-(4-chloro-3-cyanobenzoyl)piperidin-4-yl]-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1
InChIInChI=1S/C16H19ClN4O2/c1-20(2)16(23)19-13-5-7-21(8-6-13)15(22)11-3-4-14(17)12(9-11)10-18/h3-4,9,13H,5-8H2,1-2H3,(H,19,23)
InChIKeyRIJMHRUVGZYITO-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.09
Rot. Bonds2

About 3-[1-(4-chloro-3-cyanobenzoyl)piperidin-4-yl]-1,1-dimethylurea

3-[1-(4-chloro-3-cyanobenzoyl)piperidin-4-yl]-1,1-dimethylurea (PubChem CID 146109714) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is 3-[1-(4-chloro-3-cyanobenzoyl)piperidin-4-yl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[1-(4-chloro-3-cyanobenzoyl)piperidin-4-yl]-1,1-dimethylurea
PubChem CID146109714
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name3-[1-(4-chloro-3-cyanobenzoyl)piperidin-4-yl]-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1
InChIInChI=1S/C16H19ClN4O2/c1-20(2)16(23)19-13-5-7-21(8-6-13)15(22)11-3-4-14(17)12(9-11)10-18/h3-4,9,13H,5-8H2,1-2H3,(H,19,23)
InChIKeyRIJMHRUVGZYITO-UHFFFAOYSA-N
XLogP2.09
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(1,3-dioxo-2-propan-2-ylisoindole-5-carbonyl)piperidin-4-yl]-1,1-dimethylurea
CID 108564466
(3,4-dichlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559758
1,1-dimethyl-3-[1-(2-methylbenzoyl)piperidin-4-yl]urea
CID 108566970
1,1-dimethyl-3-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]urea
CID 108564112
2,5-dichloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]benzamide
CID 108554641
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558128
2,5-dichloro-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108554637
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549642
N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551233
1-(4-bromobenzoyl)-N-(4-chloro-3-cyanophenyl)piperidine-4-carboxamide
CID 55480232
(3,4-dichlorophenyl)-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 119413636
2,5-dichloro-N-[1-(4-fluorobenzoyl)piperidin-4-yl]benzamide
CID 108554571

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chloro-3-cyanobenzoyl)piperidin-4-yl]-1,1-dimethylurea?
The IUPAC name of 3-[1-(4-chloro-3-cyanobenzoyl)piperidin-4-yl]-1,1-dimethylurea (CID 146109714) is 3-[1-(4-chloro-3-cyanobenzoyl)piperidin-4-yl]-1,1-dimethylurea.
What is the SMILES notation for 3-[1-(4-chloro-3-cyanobenzoyl)piperidin-4-yl]-1,1-dimethylurea?
The canonical SMILES for 3-[1-(4-chloro-3-cyanobenzoyl)piperidin-4-yl]-1,1-dimethylurea is CN(C)C(=O)NC1CCN(C(=O)c2ccc(Cl)c(C#N)c2)CC1.
What is the InChIKey of 3-[1-(4-chloro-3-cyanobenzoyl)piperidin-4-yl]-1,1-dimethylurea?
The InChIKey is RIJMHRUVGZYITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-20(2)16(23)19-13-5-7-21(8-6-13)15(22)11-3-4-14(17)12(9-11)10-18/h3-4,9,13H,5-8H2,1-2H3,(H,19,23).
What are the key properties of 3-[1-(4-chloro-3-cyanobenzoyl)piperidin-4-yl]-1,1-dimethylurea?
3-[1-(4-chloro-3-cyanobenzoyl)piperidin-4-yl]-1,1-dimethylurea has a molecular weight of 334.81 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chloro-3-cyanobenzoyl)piperidin-4-yl]-1,1-dimethylurea is sourced from PubChem (CID 146109714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).