(5S)-5-(3,4-dichlorophenyl)-1-pyridin-2-yl-5-[2-(2-pyridin-4-yloxyethylamino)ethyl]piperidin-2-one

C25H26Cl2N4O2 — CID 58649102

IUPAC(5S)-5-(3,4-dichlorophenyl)-1-pyridin-2-yl-5-[2-(2-pyridin-4-yloxyethylamino)ethyl]piperidin-2-one
SMILESO=C1CC[C@](CCNCCOc2ccncc2)(c2ccc(Cl)c(Cl)c2)CN1c1ccccn1
InChIInChI=1S/C25H26Cl2N4O2/c26-21-5-4-19(17-22(21)27)25(10-14-29-15-16-33-20-7-12-28-13-8-20)9-6-24(32)31(18-25)23-3-1-2-11-30-23/h1-5,7-8,11-13,17,29H,6,9-10,14-16,18H2/t25-/m1/s1
InChIKeyNUEPVGAJFKTHPT-RUZDIDTESA-N
MW485.42 g/mol
LogP4.91
Rot. Bonds9

About (5S)-5-(3,4-dichlorophenyl)-1-pyridin-2-yl-5-[2-(2-pyridin-4-yloxyethylamino)ethyl]piperidin-2-one

(5S)-5-(3,4-dichlorophenyl)-1-pyridin-2-yl-5-[2-(2-pyridin-4-yloxyethylamino)ethyl]piperidin-2-one (PubChem CID 58649102) has the molecular formula C25H26Cl2N4O2 and a molecular weight of 485.42 g/mol. Its IUPAC name is (5S)-5-(3,4-dichlorophenyl)-1-pyridin-2-yl-5-[2-(2-pyridin-4-yloxyethylamino)ethyl]piperidin-2-one.

Molecular Properties

Compound Name(5S)-5-(3,4-dichlorophenyl)-1-pyridin-2-yl-5-[2-(2-pyridin-4-yloxyethylamino)ethyl]piperidin-2-one
PubChem CID58649102
Molecular FormulaC25H26Cl2N4O2
Molecular Weight485.42 g/mol
Exact Mass484.14
IUPAC Name(5S)-5-(3,4-dichlorophenyl)-1-pyridin-2-yl-5-[2-(2-pyridin-4-yloxyethylamino)ethyl]piperidin-2-one
SMILESO=C1CC[C@](CCNCCOc2ccncc2)(c2ccc(Cl)c(Cl)c2)CN1c1ccccn1
InChIInChI=1S/C25H26Cl2N4O2/c26-21-5-4-19(17-22(21)27)25(10-14-29-15-16-33-20-7-12-28-13-8-20)9-6-24(32)31(18-25)23-3-1-2-11-30-23/h1-5,7-8,11-13,17,29H,6,9-10,14-16,18H2/t25-/m1/s1
InChIKeyNUEPVGAJFKTHPT-RUZDIDTESA-N
XLogP4.91
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.42
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3,4-dichlorophenyl)-1-pyridin-2-yl-5-[2-(2-pyridin-4-yloxyethylamino)ethyl]piperidin-2-one?
The IUPAC name of (5S)-5-(3,4-dichlorophenyl)-1-pyridin-2-yl-5-[2-(2-pyridin-4-yloxyethylamino)ethyl]piperidin-2-one (CID 58649102) is (5S)-5-(3,4-dichlorophenyl)-1-pyridin-2-yl-5-[2-(2-pyridin-4-yloxyethylamino)ethyl]piperidin-2-one.
What is the SMILES notation for (5S)-5-(3,4-dichlorophenyl)-1-pyridin-2-yl-5-[2-(2-pyridin-4-yloxyethylamino)ethyl]piperidin-2-one?
The canonical SMILES for (5S)-5-(3,4-dichlorophenyl)-1-pyridin-2-yl-5-[2-(2-pyridin-4-yloxyethylamino)ethyl]piperidin-2-one is O=C1CC[C@](CCNCCOc2ccncc2)(c2ccc(Cl)c(Cl)c2)CN1c1ccccn1.
What is the InChIKey of (5S)-5-(3,4-dichlorophenyl)-1-pyridin-2-yl-5-[2-(2-pyridin-4-yloxyethylamino)ethyl]piperidin-2-one?
The InChIKey is NUEPVGAJFKTHPT-RUZDIDTESA-N. The full InChI is InChI=1S/C25H26Cl2N4O2/c26-21-5-4-19(17-22(21)27)25(10-14-29-15-16-33-20-7-12-28-13-8-20)9-6-24(32)31(18-25)23-3-1-2-11-30-23/h1-5,7-8,11-13,17,29H,6,9-10,14-16,18H2/t25-/m1/s1.
What are the key properties of (5S)-5-(3,4-dichlorophenyl)-1-pyridin-2-yl-5-[2-(2-pyridin-4-yloxyethylamino)ethyl]piperidin-2-one?
(5S)-5-(3,4-dichlorophenyl)-1-pyridin-2-yl-5-[2-(2-pyridin-4-yloxyethylamino)ethyl]piperidin-2-one has a molecular weight of 485.42 g/mol, XLogP of 4.91, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3,4-dichlorophenyl)-1-pyridin-2-yl-5-[2-(2-pyridin-4-yloxyethylamino)ethyl]piperidin-2-one is sourced from PubChem (CID 58649102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).