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

C23H24Cl2N4O — CID 10575228

IUPAC(3,4-dichlorophenyl)-[4-[[(6-pyrrol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-n3cccc3)n2)CC1
InChIInChI=1S/C23H24Cl2N4O/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/h1-7,10-11,14,17,26H,8-9,12-13,15-16H2
InChIKeyLFPSRLUYDXHPCX-UHFFFAOYSA-N
MW443.38 g/mol
LogP4.82
Rot. Bonds6

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

(3,4-dichlorophenyl)-[4-[[(6-pyrrol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 10575228) has the molecular formula C23H24Cl2N4O and a molecular weight of 443.38 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-[[(6-pyrrol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-[[(6-pyrrol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
PubChem CID10575228
Molecular FormulaC23H24Cl2N4O
Molecular Weight443.38 g/mol
Exact Mass442.13
IUPAC Name(3,4-dichlorophenyl)-[4-[[(6-pyrrol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESO=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-n3cccc3)n2)CC1
InChIInChI=1S/C23H24Cl2N4O/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/h1-7,10-11,14,17,26H,8-9,12-13,15-16H2
InChIKeyLFPSRLUYDXHPCX-UHFFFAOYSA-N
XLogP4.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.38
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-[[(6-pyrrol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-[[(6-pyrrol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (CID 10575228) is (3,4-dichlorophenyl)-[4-[[(6-pyrrol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-[[(6-pyrrol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-[[(6-pyrrol-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-pyrrol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is LFPSRLUYDXHPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N4O/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/h1-7,10-11,14,17,26H,8-9,12-13,15-16H2.
What are the key properties of (3,4-dichlorophenyl)-[4-[[(6-pyrrol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-[[(6-pyrrol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 443.38 g/mol, XLogP of 4.82, 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-pyrrol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10575228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).