3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea

C24H29Cl2N5O2 — CID 20610113

IUPAC3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
SMILESCN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C24H29Cl2N5O2/c1-29(21-6-11-31(12-7-21)23(32)17-3-2-8-27-16-17)24(33)28-20-4-9-30(10-5-20)22-14-18(25)13-19(26)15-22/h2-3,8,13-16,20-21H,4-7,9-12H2,1H3,(H,28,33)
InChIKeyJUIDTDILPAJGSD-UHFFFAOYSA-N
MW490.44 g/mol
LogP4.30
Rot. Bonds4

About 3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea

3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea (PubChem CID 20610113) has the molecular formula C24H29Cl2N5O2 and a molecular weight of 490.44 g/mol. Its IUPAC name is 3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
PubChem CID20610113
Molecular FormulaC24H29Cl2N5O2
Molecular Weight490.44 g/mol
Exact Mass489.17
IUPAC Name3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
SMILESCN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C24H29Cl2N5O2/c1-29(21-6-11-31(12-7-21)23(32)17-3-2-8-27-16-17)24(33)28-20-4-9-30(10-5-20)22-14-18(25)13-19(26)15-22/h2-3,8,13-16,20-21H,4-7,9-12H2,1H3,(H,28,33)
InChIKeyJUIDTDILPAJGSD-UHFFFAOYSA-N
XLogP4.30
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
(E)-3-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide
CID 108924939
1-tert-butyl-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 110821121
2,2-diphenyl-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]acetamide
CID 108549584
1-(2,2-dimethylpropyl)-3-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea
CID 110821123
2,6-dimethoxy-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]benzamide
CID 108549740
N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797182
(4-fluoropiperidin-1-yl)-pyridin-3-ylmethanone
CID 150696190
N-[1-[4-(dimethylsulfamoyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47797104
[4-(3-chloro-4-methylphenyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113076863
N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]pyridine-3-carboxamide
CID 175648718

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea?
The IUPAC name of 3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea (CID 20610113) is 3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea.
What is the SMILES notation for 3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea?
The canonical SMILES for 3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea is CN(C(=O)NC1CCN(c2cc(Cl)cc(Cl)c2)CC1)C1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of 3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea?
The InChIKey is JUIDTDILPAJGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29Cl2N5O2/c1-29(21-6-11-31(12-7-21)23(32)17-3-2-8-27-16-17)24(33)28-20-4-9-30(10-5-20)22-14-18(25)13-19(26)15-22/h2-3,8,13-16,20-21H,4-7,9-12H2,1H3,(H,28,33).
What are the key properties of 3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea?
3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea has a molecular weight of 490.44 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-dichlorophenyl)piperidin-4-yl]-1-methyl-1-[1-(pyridine-3-carbonyl)piperidin-4-yl]urea is sourced from PubChem (CID 20610113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).