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

C22H27Cl2N3O — CID 10550047

IUPAC(3,4-dichlorophenyl)-[4-[[(6-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESCC(C)c1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1
InChIInChI=1S/C22H27Cl2N3O/c1-15(2)21-5-3-4-18(26-21)14-25-13-16-8-10-27(11-9-16)22(28)17-6-7-19(23)20(24)12-17/h3-7,12,15-16,25H,8-11,13-14H2,1-2H3
InChIKeyALUYYYQSLDDYOM-UHFFFAOYSA-N
MW420.38 g/mol
LogP5.15
Rot. Bonds6

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

(3,4-dichlorophenyl)-[4-[[(6-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (PubChem CID 10550047) has the molecular formula C22H27Cl2N3O and a molecular weight of 420.38 g/mol. Its IUPAC name is (3,4-dichlorophenyl)-[4-[[(6-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dichlorophenyl)-[4-[[(6-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
PubChem CID10550047
Molecular FormulaC22H27Cl2N3O
Molecular Weight420.38 g/mol
Exact Mass419.15
IUPAC Name(3,4-dichlorophenyl)-[4-[[(6-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
SMILESCC(C)c1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1
InChIInChI=1S/C22H27Cl2N3O/c1-15(2)21-5-3-4-18(26-21)14-25-13-16-8-10-27(11-9-16)22(28)17-6-7-19(23)20(24)12-17/h3-7,12,15-16,25H,8-11,13-14H2,1-2H3
InChIKeyALUYYYQSLDDYOM-UHFFFAOYSA-N
XLogP5.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.38
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

Befiradol
CID 9865384
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butyl)-4-(pyridin-2-yl)benzamide
CID 9826580
PG-01037
CID 11477180
Wdr5-IN-4
CID 138319680
3,4-Dichloro-N-pyridin-3-yl-benzamide
CID 762535
Pyridine amide, 9
CID 44237001
Pyridine amide, 27
CID 44237002
(3-Chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10024776
[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-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10670050
(3,4-Dichlorophenyl)-[4-[[[6-(dimethylamino)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10789182

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl)-[4-[[(6-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dichlorophenyl)-[4-[[(6-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone (CID 10550047) is (3,4-dichlorophenyl)-[4-[[(6-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dichlorophenyl)-[4-[[(6-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dichlorophenyl)-[4-[[(6-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is CC(C)c1cccc(CNCC2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)n1.
What is the InChIKey of (3,4-dichlorophenyl)-[4-[[(6-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
The InChIKey is ALUYYYQSLDDYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2N3O/c1-15(2)21-5-3-4-18(26-21)14-25-13-16-8-10-27(11-9-16)22(28)17-6-7-19(23)20(24)12-17/h3-7,12,15-16,25H,8-11,13-14H2,1-2H3.
What are the key properties of (3,4-dichlorophenyl)-[4-[[(6-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone?
(3,4-dichlorophenyl)-[4-[[(6-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone has a molecular weight of 420.38 g/mol, XLogP of 5.15, 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-[[(6-propan-2-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 10550047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).