1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)-2-oxo-2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]urea

C25H30Cl2N4O2 — CID 11191012

IUPAC1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)-2-oxo-2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)N[C@@H](C(=O)N1CCC(C2CCNCC2)CC1)c1ccccc1Cl
InChIInChI=1S/C25H30Cl2N4O2/c26-19-5-7-20(8-6-19)29-25(33)30-23(21-3-1-2-4-22(21)27)24(32)31-15-11-18(12-16-31)17-9-13-28-14-10-17/h1-8,17-18,23,28H,9-16H2,(H2,29,30,33)/t23-/m1/s1
InChIKeyAJZVPJOTKWRJBB-HSZRJFAPSA-N
MW489.45 g/mol
LogP5.09
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)-2-oxo-2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]urea

1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)-2-oxo-2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]urea (PubChem CID 11191012) has the molecular formula C25H30Cl2N4O2 and a molecular weight of 489.45 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)-2-oxo-2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)-2-oxo-2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]urea
PubChem CID11191012
Molecular FormulaC25H30Cl2N4O2
Molecular Weight489.45 g/mol
Exact Mass488.17
IUPAC Name1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)-2-oxo-2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]urea
SMILESO=C(Nc1ccc(Cl)cc1)N[C@@H](C(=O)N1CCC(C2CCNCC2)CC1)c1ccccc1Cl
InChIInChI=1S/C25H30Cl2N4O2/c26-19-5-7-20(8-6-19)29-25(33)30-23(21-3-1-2-4-22(21)27)24(32)31-15-11-18(12-16-31)17-9-13-28-14-10-17/h1-8,17-18,23,28H,9-16H2,(H2,29,30,33)/t23-/m1/s1
InChIKeyAJZVPJOTKWRJBB-HSZRJFAPSA-N
XLogP5.09
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.45
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)-2-oxo-2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]urea with MolForge

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Related Compounds

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8-[Bis(2-chlorophenyl)methyl]-3-[2-(ethylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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8-[Bis(2-chlorophenyl)methyl]-1-phenyl-3-[2-(propan-2-ylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190587
8-[Bis(2-chlorophenyl)methyl]-3-{2-[(2-methylpropyl)amino]ethyl}-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 25190594
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3-(3-amino-3-oxopropyl)-N-(4-chlorophenyl)-3-phenylpiperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)-2-oxo-2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)-2-oxo-2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]urea (CID 11191012) is 1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)-2-oxo-2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)-2-oxo-2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)-2-oxo-2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]urea is O=C(Nc1ccc(Cl)cc1)N[C@@H](C(=O)N1CCC(C2CCNCC2)CC1)c1ccccc1Cl.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)-2-oxo-2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]urea?
The InChIKey is AJZVPJOTKWRJBB-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H30Cl2N4O2/c26-19-5-7-20(8-6-19)29-25(33)30-23(21-3-1-2-4-22(21)27)24(32)31-15-11-18(12-16-31)17-9-13-28-14-10-17/h1-8,17-18,23,28H,9-16H2,(H2,29,30,33)/t23-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)-2-oxo-2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]urea?
1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)-2-oxo-2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]urea has a molecular weight of 489.45 g/mol, XLogP of 5.09, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(1R)-1-(2-chlorophenyl)-2-oxo-2-(4-piperidin-4-ylpiperidin-1-yl)ethyl]urea is sourced from PubChem (CID 11191012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).