(3,4-dichlorophenyl)-[4-[(2-pyridin-2-ylethylamino)methyl]piperidin-1-yl]methanone

C20H23Cl2N3O — CID 10763073

IUPAC(3,4-dichlorophenyl)-[4-[(2-pyridin-2-ylethylamino)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCCc2ccccn2)CC1
InChIInChI=1S/C20H23Cl2N3O/c21-18-5-4-16(13-19(18)22)20(26)25-11-7-15(8-12-25)14-23-10-6-17-3-1-2-9-24-17/h1-5,9,13,15,23H,6-8,10-12,14H2
InChIKeyCAKRMODHVGKKRO-UHFFFAOYSA-N
MW392.33 g/mol
LogP4.07
Rot. Bonds6

About (3,4-dichlorophenyl)-[4-[(2-pyridin-2-ylethylamino)methyl]piperidin-1-yl]methanone

(3,4-dichlorophenyl)-[4-[(2-pyridin-2-ylethylamino)methyl]piperidin-1-yl]methanone (PubChem CID 10763073) has the molecular formula C20H23Cl2N3O and a molecular weight of 392.33 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-[(2-pyridin-2-ylethylamino)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-[(2-pyridin-2-ylethylamino)methyl]piperidin-1-yl]methanone
PubChem CID10763073
Molecular FormulaC20H23Cl2N3O
Molecular Weight392.33 g/mol
Exact Mass391.12
IUPAC Name(3,4-dichlorophenyl)-[4-[(2-pyridin-2-ylethylamino)methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCCc2ccccn2)CC1
InChIInChI=1S/C20H23Cl2N3O/c21-18-5-4-16(13-19(18)22)20(26)25-11-7-15(8-12-25)14-23-10-6-17-3-1-2-9-24-17/h1-5,9,13,15,23H,6-8,10-12,14H2
InChIKeyCAKRMODHVGKKRO-UHFFFAOYSA-N
XLogP4.07
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3,4-dichlorophenyl)-[4-[(2-pyridin-2-ylethylamino)methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-[(2-pyridin-2-ylethylamino)methyl]piperidin-1-yl]methanone (CID 10763073) is (3,4-dichlorophenyl)-[4-[(2-pyridin-2-ylethylamino)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-[(2-pyridin-2-ylethylamino)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-[(2-pyridin-2-ylethylamino)methyl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCCc2ccccn2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-[(2-pyridin-2-ylethylamino)methyl]piperidin-1-yl]methanone?
The InChIKey is CAKRMODHVGKKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O/c21-18-5-4-16(13-19(18)22)20(26)25-11-7-15(8-12-25)14-23-10-6-17-3-1-2-9-24-17/h1-5,9,13,15,23H,6-8,10-12,14H2.
What are the key properties of (3,4-dichlorophenyl)-[4-[(2-pyridin-2-ylethylamino)methyl]piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-[(2-pyridin-2-ylethylamino)methyl]piperidin-1-yl]methanone has a molecular weight of 392.33 g/mol, XLogP of 4.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-[(2-pyridin-2-ylethylamino)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10763073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).