(3,4-dichlorophenyl)-[4-[[(6-pyrrolidin-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

C23H28Cl2N4O — CID 10718271

IUPAC(3,4-dichlorophenyl)-[4-[[(6-pyrrolidin-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(N3CCCC3)n2)CC1
InChIInChI=1S/C23H28Cl2N4O/c24-20-7-6-18(14-21(20)25)23(30)29-12-8-17(9-13-29)15-26-16-19-4-3-5-22(27-19)28-10-1-2-11-28/h3-7,14,17,26H,1-2,8-13,15-16H2
InChIKeyOYXGDZSTYVPCRU-UHFFFAOYSA-N
MW447.41 g/mol
LogP4.63
Rot. Bonds6

About (3,4-dichlorophenyl)-[4-[[(6-pyrrolidin-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone

(3,4-dichlorophenyl)-[4-[[(6-pyrrolidin-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 10718271) has the molecular formula C23H28Cl2N4O and a molecular weight of 447.41 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-[[(6-pyrrolidin-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-[[(6-pyrrolidin-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
PubChem CID10718271
Molecular FormulaC23H28Cl2N4O
Molecular Weight447.41 g/mol
Exact Mass446.16
IUPAC Name(3,4-dichlorophenyl)-[4-[[(6-pyrrolidin-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(N3CCCC3)n2)CC1
InChIInChI=1S/C23H28Cl2N4O/c24-20-7-6-18(14-21(20)25)23(30)29-12-8-17(9-13-29)15-26-16-19-4-3-5-22(27-19)28-10-1-2-11-28/h3-7,14,17,26H,1-2,8-13,15-16H2
InChIKeyOYXGDZSTYVPCRU-UHFFFAOYSA-N
XLogP4.63
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.41
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3,4-dichlorophenyl)-[4-[[(6-pyrrolidin-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

Lazucirnon
CID 59534386
Wdr5-IN-4
CID 138319680
Pyridine amide, 13
CID 44236999
(3-Chloro-4-fluorophenyl)(4-fluoro-4-((((5-methyl-6-(methylamino)pyridin-2-yl)methyl)amino)methyl)piperidin-1-yl)methanone
CID 9802369
[4-[[[6-(Azetidin-1-yl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]-(3,4-dichlorophenyl)methanone
CID 10025854
(3-Chlorophenyl)-[4-[[[6-(dimethylamino)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10549236
(3,4-Dichlorophenyl)-[4-[[(6-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10550047
(3,4-Dichlorophenyl)-[4-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10670050
(3-Chloro-4-fluorophenyl)-[4-[[[6-(dimethylamino)-4-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10694238
(3-Chloro-4-fluorophenyl)-[4-[[[6-(dimethylamino)-5-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10694239
(3-Chloro-4-fluorophenyl)-[4-[[[6-(dimethylamino)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10740939
(3-Chloro-4-methylphenyl)-[4-[[[6-(dimethylamino)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10764513

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-[[(6-pyrrolidin-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-[[(6-pyrrolidin-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (CID 10718271) is (3,4-dichlorophenyl)-[4-[[(6-pyrrolidin-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-[[(6-pyrrolidin-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-[[(6-pyrrolidin-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(N3CCCC3)n2)CC1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-[[(6-pyrrolidin-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is OYXGDZSTYVPCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N4O/c24-20-7-6-18(14-21(20)25)23(30)29-12-8-17(9-13-29)15-26-16-19-4-3-5-22(27-19)28-10-1-2-11-28/h3-7,14,17,26H,1-2,8-13,15-16H2.
What are the key properties of (3,4-dichlorophenyl)-[4-[[(6-pyrrolidin-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-[[(6-pyrrolidin-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 447.41 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl)-[4-[[(6-pyrrolidin-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10718271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).