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

C23H30Cl2N4O — CID 10527496

IUPAC(3,4-dichlorophenyl)-[4-[[[6-[methyl(propyl)amino]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
SMILESCCCN(C)c1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1
InChIInChI=1S/C23H30Cl2N4O/c1-3-11-28(2)22-6-4-5-19(27-22)16-26-15-17-9-12-29(13-10-17)23(30)18-7-8-20(24)21(25)14-18/h4-8,14,17,26H,3,9-13,15-16H2,1-2H3
InChIKeyGGDYXDQZMDYGQL-UHFFFAOYSA-N
MW449.43 g/mol
LogP4.88
Rot. Bonds8

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

(3,4-dichlorophenyl)-[4-[[[6-[methyl(propyl)amino]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 10527496) has the molecular formula C23H30Cl2N4O and a molecular weight of 449.43 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-[[[6-[methyl(propyl)amino]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-[[[6-[methyl(propyl)amino]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
PubChem CID10527496
Molecular FormulaC23H30Cl2N4O
Molecular Weight449.43 g/mol
Exact Mass448.18
IUPAC Name(3,4-dichlorophenyl)-[4-[[[6-[methyl(propyl)amino]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
SMILESCCCN(C)c1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1
InChIInChI=1S/C23H30Cl2N4O/c1-3-11-28(2)22-6-4-5-19(27-22)16-26-15-17-9-12-29(13-10-17)23(30)18-7-8-20(24)21(25)14-18/h4-8,14,17,26H,3,9-13,15-16H2,1-2H3
InChIKeyGGDYXDQZMDYGQL-UHFFFAOYSA-N
XLogP4.88
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.43
LogP ≤ 54.88
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-[methyl(propyl)amino]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-[[[6-[methyl(propyl)amino]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone (CID 10527496) is (3,4-dichlorophenyl)-[4-[[[6-[methyl(propyl)amino]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-[[[6-[methyl(propyl)amino]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-[[[6-[methyl(propyl)amino]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone is CCCN(C)c1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-[[[6-[methyl(propyl)amino]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is GGDYXDQZMDYGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30Cl2N4O/c1-3-11-28(2)22-6-4-5-19(27-22)16-26-15-17-9-12-29(13-10-17)23(30)18-7-8-20(24)21(25)14-18/h4-8,14,17,26H,3,9-13,15-16H2,1-2H3.
What are the key properties of (3,4-dichlorophenyl)-[4-[[[6-[methyl(propyl)amino]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-[[[6-[methyl(propyl)amino]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 449.43 g/mol, XLogP of 4.88, 8 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-[methyl(propyl)amino]-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10527496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).