(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-piperidin-4-ylpropanamide

C22H25Cl2N3O2 — CID 56663269

IUPAC(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-piperidin-4-ylpropanamide
SMILESO=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCNCC1
InChIInChI=1S/C22H25Cl2N3O2/c23-17-5-1-15(2-6-17)13-20(22(29)26-19-9-11-25-12-10-19)27-21(28)14-16-3-7-18(24)8-4-16/h1-8,19-20,25H,9-14H2,(H,26,29)(H,27,28)/t20-/m1/s1
InChIKeyWFASZPBKHLDUHV-HXUWFJFHSA-N
MW434.37 g/mol
LogP3.13
Rot. Bonds7

About (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-piperidin-4-ylpropanamide

(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-piperidin-4-ylpropanamide (PubChem CID 56663269) has the molecular formula C22H25Cl2N3O2 and a molecular weight of 434.37 g/mol. Its IUPAC name is (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-piperidin-4-ylpropanamide.

Molecular Properties

Compound Name(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-piperidin-4-ylpropanamide
PubChem CID56663269
Molecular FormulaC22H25Cl2N3O2
Molecular Weight434.37 g/mol
Exact Mass433.13
IUPAC Name(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-piperidin-4-ylpropanamide
SMILESO=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCNCC1
InChIInChI=1S/C22H25Cl2N3O2/c23-17-5-1-15(2-6-17)13-20(22(29)26-19-9-11-25-12-10-19)27-21(28)14-16-3-7-18(24)8-4-16/h1-8,19-20,25H,9-14H2,(H,26,29)(H,27,28)/t20-/m1/s1
InChIKeyWFASZPBKHLDUHV-HXUWFJFHSA-N
XLogP3.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-piperidin-4-ylpropanamide?
The IUPAC name of (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-piperidin-4-ylpropanamide (CID 56663269) is (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-piperidin-4-ylpropanamide.
What is the SMILES notation for (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-piperidin-4-ylpropanamide?
The canonical SMILES for (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-piperidin-4-ylpropanamide is O=C(Cc1ccc(Cl)cc1)N[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCNCC1.
What is the InChIKey of (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-piperidin-4-ylpropanamide?
The InChIKey is WFASZPBKHLDUHV-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25Cl2N3O2/c23-17-5-1-15(2-6-17)13-20(22(29)26-19-9-11-25-12-10-19)27-21(28)14-16-3-7-18(24)8-4-16/h1-8,19-20,25H,9-14H2,(H,26,29)(H,27,28)/t20-/m1/s1.
What are the key properties of (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-piperidin-4-ylpropanamide?
(2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-piperidin-4-ylpropanamide has a molecular weight of 434.37 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-chlorophenyl)-2-[[2-(4-chlorophenyl)acetyl]amino]-N-piperidin-4-ylpropanamide is sourced from PubChem (CID 56663269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).