N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide

C22H26Cl2N2O2 — CID 153458835

IUPACN-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1
InChIInChI=1S/C22H26Cl2N2O2/c1-16-4-2-5-17(14-16)22(27)25-10-3-11-26-12-8-18(9-13-26)28-19-6-7-20(23)21(24)15-19/h2,4-7,14-15,18H,3,8-13H2,1H3,(H,25,27)
InChIKeyHNANRCMFQYTSRA-UHFFFAOYSA-N
MW421.37 g/mol
LogP4.97
Rot. Bonds7

About N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide

N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide (PubChem CID 153458835) has the molecular formula C22H26Cl2N2O2 and a molecular weight of 421.37 g/mol. Its IUPAC name is N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide
PubChem CID153458835
Molecular FormulaC22H26Cl2N2O2
Molecular Weight421.37 g/mol
Exact Mass420.14
IUPAC NameN-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1
InChIInChI=1S/C22H26Cl2N2O2/c1-16-4-2-5-17(14-16)22(27)25-10-3-11-26-12-8-18(9-13-26)28-19-6-7-20(23)21(24)15-19/h2,4-7,14-15,18H,3,8-13H2,1H3,(H,25,27)
InChIKeyHNANRCMFQYTSRA-UHFFFAOYSA-N
XLogP4.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.37
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride
CID 22322198
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide
CID 22322216
3-cyano-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 22322356
3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 10161188
4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 10112968
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide
CID 22322419
(E)-3-amino-N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-2-(methyliminomethyl)prop-2-enamide
CID 70849235
N-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide
CID 142018826
N-[2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propylamino]-2-oxo-1-phenylethyl]ethanimidate
CID 142274561
3,4-dichloro-N-[3-[4-[3-[(3,4-dichlorobenzoyl)amino]propyl]piperazin-1-yl]propyl]benzamide
CID 3672547
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 22322378

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide?
The IUPAC name of N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide (CID 153458835) is N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide.
What is the SMILES notation for N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide?
The canonical SMILES for N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide is Cc1cccc(C(=O)NCCCN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c1.
What is the InChIKey of N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide?
The InChIKey is HNANRCMFQYTSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O2/c1-16-4-2-5-17(14-16)22(27)25-10-3-11-26-12-8-18(9-13-26)28-19-6-7-20(23)21(24)15-19/h2,4-7,14-15,18H,3,8-13H2,1H3,(H,25,27).
What are the key properties of N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide?
N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide has a molecular weight of 421.37 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide is sourced from PubChem (CID 153458835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).