[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]-(4-propylpiperidin-1-yl)methanone

C21H24Cl2N2O2 — CID 58210629

IUPAC[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cncc(COc3c(Cl)cccc3Cl)c2)CC1
InChIInChI=1S/C21H24Cl2N2O2/c1-2-4-15-7-9-25(10-8-15)21(26)17-11-16(12-24-13-17)14-27-20-18(22)5-3-6-19(20)23/h3,5-6,11-13,15H,2,4,7-10,14H2,1H3
InChIKeyQVQNSZCXAXKFGZ-UHFFFAOYSA-N
MW407.34 g/mol
LogP5.62
Rot. Bonds6

About [5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]-(4-propylpiperidin-1-yl)methanone

[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]-(4-propylpiperidin-1-yl)methanone (PubChem CID 58210629) has the molecular formula C21H24Cl2N2O2 and a molecular weight of 407.34 g/mol. Its IUPAC name is [5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]-(4-propylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]-(4-propylpiperidin-1-yl)methanone
PubChem CID58210629
Molecular FormulaC21H24Cl2N2O2
Molecular Weight407.34 g/mol
Exact Mass406.12
IUPAC Name[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]-(4-propylpiperidin-1-yl)methanone
SMILESCCCC1CCN(C(=O)c2cncc(COc3c(Cl)cccc3Cl)c2)CC1
InChIInChI=1S/C21H24Cl2N2O2/c1-2-4-15-7-9-25(10-8-15)21(26)17-11-16(12-24-13-17)14-27-20-18(22)5-3-6-19(20)23/h3,5-6,11-13,15H,2,4,7-10,14H2,1H3
InChIKeyQVQNSZCXAXKFGZ-UHFFFAOYSA-N
XLogP5.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.34
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]-(4-propylpiperidin-1-yl)methanone with MolForge

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Related Compounds

azepan-1-yl-[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]methanone
CID 58210813
3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]methanone
CID 58210767
(5-hydroxy-3-pyridinyl)-(4-propylazepan-1-yl)methanone
CID 63930804
N-cyclohexyl-5-[(2,6-dichlorophenoxy)methyl]-N-methylpyridine-3-carboxamide
CID 58211585
[5-[(2,6-dichlorophenoxy)methyl]-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 58210731
[5-[(2,6-dichlorophenyl)sulfanylmethyl]-3-pyridinyl]-[4-(1,1-difluoroethyl)piperidin-1-yl]methanone
CID 58211000
(3-chlorophenyl)-(4-propylazepan-1-yl)methanone
CID 142181487
(5-ethyl-3-pyridinyl)-(4-hydroxypiperidin-1-yl)methanone
CID 71290322
[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-[4-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119547133
(2-amino-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 62205465
(6-bromo-3-pyridinyl)-(4-propylazepan-1-yl)methanone
CID 66464344
(3,5-dibromophenyl)-(4-propylpiperidin-1-yl)methanone
CID 107980414

Frequently Asked Questions

What is the IUPAC name of [5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]-(4-propylpiperidin-1-yl)methanone?
The IUPAC name of [5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]-(4-propylpiperidin-1-yl)methanone (CID 58210629) is [5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]-(4-propylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]-(4-propylpiperidin-1-yl)methanone?
The canonical SMILES for [5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]-(4-propylpiperidin-1-yl)methanone is CCCC1CCN(C(=O)c2cncc(COc3c(Cl)cccc3Cl)c2)CC1.
What is the InChIKey of [5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]-(4-propylpiperidin-1-yl)methanone?
The InChIKey is QVQNSZCXAXKFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N2O2/c1-2-4-15-7-9-25(10-8-15)21(26)17-11-16(12-24-13-17)14-27-20-18(22)5-3-6-19(20)23/h3,5-6,11-13,15H,2,4,7-10,14H2,1H3.
What are the key properties of [5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]-(4-propylpiperidin-1-yl)methanone?
[5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]-(4-propylpiperidin-1-yl)methanone has a molecular weight of 407.34 g/mol, XLogP of 5.62, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,6-dichlorophenoxy)methyl]-3-pyridinyl]-(4-propylpiperidin-1-yl)methanone is sourced from PubChem (CID 58210629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).