1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-1,3,3-trimethylurea

C14H20BrClN4O — CID 166601948

IUPAC1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)C1CCCN(c2ncc(Br)cc2Cl)C1
InChIInChI=1S/C14H20BrClN4O/c1-18(2)14(21)19(3)11-5-4-6-20(9-11)13-12(16)7-10(15)8-17-13/h7-8,11H,4-6,9H2,1-3H3
InChIKeyLIHCJMQVZPZWMN-UHFFFAOYSA-N
MW375.70 g/mol
LogP3.08
Rot. Bonds2

About 1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-1,3,3-trimethylurea

1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-1,3,3-trimethylurea (PubChem CID 166601948) has the molecular formula C14H20BrClN4O and a molecular weight of 375.70 g/mol. Its IUPAC name is 1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-1,3,3-trimethylurea.

Molecular Properties

Compound Name1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-1,3,3-trimethylurea
PubChem CID166601948
Molecular FormulaC14H20BrClN4O
Molecular Weight375.70 g/mol
Exact Mass374.05
IUPAC Name1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-1,3,3-trimethylurea
SMILESCN(C)C(=O)N(C)C1CCCN(c2ncc(Br)cc2Cl)C1
InChIInChI=1S/C14H20BrClN4O/c1-18(2)14(21)19(3)11-5-4-6-20(9-11)13-12(16)7-10(15)8-17-13/h7-8,11H,4-6,9H2,1-3H3
InChIKeyLIHCJMQVZPZWMN-UHFFFAOYSA-N
XLogP3.08
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.70
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-3-yl]-N,2,2-trimethylpropanamide
CID 163350293
[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 163345044
(3S)-1-(5-bromo-3-chloro-2-pyridinyl)pyrrolidin-3-ol
CID 103580205
1-[1-(6-chloro-5-cyanopyrazin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 118114934
N-[1-(5-chloro-3-fluoro-2-pyridinyl)piperidin-3-yl]-N-methylcyclobutanecarboxamide
CID 166605987
1-[1-(4,6-dimethoxypyrimidin-2-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 171324316
1-[1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166603407
1-[1-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166603615
1,1,3-trimethyl-3-[1-(4-methylpyrimidin-2-yl)piperidin-3-yl]urea
CID 166606087
1-(5-bromo-3-chloro-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 103583251
1-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-3-yl]-1,3,3-trimethylurea
CID 166606133
tert-butyl N-[1-(5-bromopyrimidin-2-yl)piperidin-3-yl]-N-methylcarbamate
CID 140914655

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-1,3,3-trimethylurea?
The IUPAC name of 1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-1,3,3-trimethylurea (CID 166601948) is 1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-1,3,3-trimethylurea.
What is the SMILES notation for 1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-1,3,3-trimethylurea?
The canonical SMILES for 1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-1,3,3-trimethylurea is CN(C)C(=O)N(C)C1CCCN(c2ncc(Br)cc2Cl)C1.
What is the InChIKey of 1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-1,3,3-trimethylurea?
The InChIKey is LIHCJMQVZPZWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrClN4O/c1-18(2)14(21)19(3)11-5-4-6-20(9-11)13-12(16)7-10(15)8-17-13/h7-8,11H,4-6,9H2,1-3H3.
What are the key properties of 1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-1,3,3-trimethylurea?
1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-1,3,3-trimethylurea has a molecular weight of 375.70 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-bromo-3-chloro-2-pyridinyl)piperidin-3-yl]-1,3,3-trimethylurea is sourced from PubChem (CID 166601948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).