N-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide

C20H22Cl2N2O2 — CID 33104635

IUPACN-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CCOc2c(Cl)cccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C20H22Cl2N2O2/c21-17-7-4-8-18(22)19(17)26-14-13-24-11-9-16(10-12-24)23-20(25)15-5-2-1-3-6-15/h1-8,16H,9-14H2,(H,23,25)
InChIKeyRPYBDBLXKLHJDQ-UHFFFAOYSA-N
MW393.31 g/mol
LogP4.27
Rot. Bonds6

About N-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide

N-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide (PubChem CID 33104635) has the molecular formula C20H22Cl2N2O2 and a molecular weight of 393.31 g/mol. Its IUPAC name is N-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide
PubChem CID33104635
Molecular FormulaC20H22Cl2N2O2
Molecular Weight393.31 g/mol
Exact Mass392.11
IUPAC NameN-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(CCOc2c(Cl)cccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C20H22Cl2N2O2/c21-17-7-4-8-18(22)19(17)26-14-13-24-11-9-16(10-12-24)23-20(25)15-5-2-1-3-6-15/h1-8,16H,9-14H2,(H,23,25)
InChIKeyRPYBDBLXKLHJDQ-UHFFFAOYSA-N
XLogP4.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-4-yl]benzamide
CID 33103457
N-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]benzamide
CID 21413251
N-[1-[2-[[(2S)-oxolan-2-yl]methoxy]ethyl]piperidin-4-yl]benzamide
CID 95636078
N-[1-(2-cyclohexylethyl)piperidin-4-yl]benzamide
CID 21413269
N-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]benzamide
CID 2802697
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
1-methyl-N-[1-(2-naphthalen-1-yloxyethyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 47079917
2,6-dichloro-N-(1-propylpiperidin-4-yl)benzamide
CID 17249839
N-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenoxy]ethyl]piperidin-4-yl]benzamide
CID 11248476
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
3-chloro-2-(2-piperidin-1-ylethoxy)benzoic acid
CID 22442061
N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 2729497

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide?
The IUPAC name of N-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide (CID 33104635) is N-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide is O=C(NC1CCN(CCOc2c(Cl)cccc2Cl)CC1)c1ccccc1.
What is the InChIKey of N-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide?
The InChIKey is RPYBDBLXKLHJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O2/c21-17-7-4-8-18(22)19(17)26-14-13-24-11-9-16(10-12-24)23-20(25)15-5-2-1-3-6-15/h1-8,16H,9-14H2,(H,23,25).
What are the key properties of N-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide?
N-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide has a molecular weight of 393.31 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2,6-dichlorophenoxy)ethyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 33104635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).