2-[2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propylamino]-2-oxoethanimidoyl]benzamide

C23H26Cl2N4O3 — CID 142274584

IUPAC2-[2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propylamino]-2-oxoethanimidoyl]benzamide
SMILES[H]/N=C(\C(=O)NCCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1C(N)=O
InChIInChI=1S/C23H26Cl2N4O3/c24-19-7-6-16(14-20(19)25)32-15-8-12-29(13-9-15)11-3-10-28-23(31)21(26)17-4-1-2-5-18(17)22(27)30/h1-2,4-7,14-15,26H,3,8-13H2,(H2,27,30)(H,28,31)/b26-21-
InChIKeyZJFCPPBXTMNIPS-QLYXXIJNSA-N
MW477.39 g/mol
LogP3.51
Rot. Bonds9

About 2-[2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propylamino]-2-oxoethanimidoyl]benzamide

2-[2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propylamino]-2-oxoethanimidoyl]benzamide (PubChem CID 142274584) has the molecular formula C23H26Cl2N4O3 and a molecular weight of 477.39 g/mol. Its IUPAC name is 2-[2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propylamino]-2-oxoethanimidoyl]benzamide.

Molecular Properties

Compound Name2-[2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propylamino]-2-oxoethanimidoyl]benzamide
PubChem CID142274584
Molecular FormulaC23H26Cl2N4O3
Molecular Weight477.39 g/mol
Exact Mass476.14
IUPAC Name2-[2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propylamino]-2-oxoethanimidoyl]benzamide
SMILES[H]/N=C(\C(=O)NCCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1C(N)=O
InChIInChI=1S/C23H26Cl2N4O3/c24-19-7-6-16(14-20(19)25)32-15-8-12-29(13-9-15)11-3-10-28-23(31)21(26)17-4-1-2-5-18(17)22(27)30/h1-2,4-7,14-15,26H,3,8-13H2,(H2,27,30)(H,28,31)/b26-21-
InChIKeyZJFCPPBXTMNIPS-QLYXXIJNSA-N
XLogP3.51
TPSA108.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.39
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-amino-N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-2-(methyliminomethyl)prop-2-enamide
CID 70849235
N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-3-methylbenzamide
CID 153458835
N-[2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propylamino]-2-oxo-1-phenylethyl]ethanimidate
CID 142274561
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]naphthalene-2-carboxamide
CID 22322216
2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]benzamide
CID 22241244
N-[2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]ethyl]-2-methylbenzamide
CID 142018826
4-(aminomethyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 10112968
2-(3-chlorophenyl)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]acetamide
CID 22322419
N-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propyl]-1-oxo-7-sulfanyl-2H-isoquinoline-4-carboxamide
CID 142274574
N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]-3-hydroxybenzamide;hydrochloride
CID 22322198
2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethanesulfonyl chloride
CID 87826645
3-(2-aminoethoxy)-N-[2-[4-(3,4-dichlorophenoxy)piperidin-1-yl]ethyl]benzamide
CID 10161188

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propylamino]-2-oxoethanimidoyl]benzamide?
The IUPAC name of 2-[2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propylamino]-2-oxoethanimidoyl]benzamide (CID 142274584) is 2-[2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propylamino]-2-oxoethanimidoyl]benzamide.
What is the SMILES notation for 2-[2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propylamino]-2-oxoethanimidoyl]benzamide?
The canonical SMILES for 2-[2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propylamino]-2-oxoethanimidoyl]benzamide is [H]/N=C(\C(=O)NCCCN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1C(N)=O.
What is the InChIKey of 2-[2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propylamino]-2-oxoethanimidoyl]benzamide?
The InChIKey is ZJFCPPBXTMNIPS-QLYXXIJNSA-N. The full InChI is InChI=1S/C23H26Cl2N4O3/c24-19-7-6-16(14-20(19)25)32-15-8-12-29(13-9-15)11-3-10-28-23(31)21(26)17-4-1-2-5-18(17)22(27)30/h1-2,4-7,14-15,26H,3,8-13H2,(H2,27,30)(H,28,31)/b26-21-.
What are the key properties of 2-[2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propylamino]-2-oxoethanimidoyl]benzamide?
2-[2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propylamino]-2-oxoethanimidoyl]benzamide has a molecular weight of 477.39 g/mol, XLogP of 3.51, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[4-(3,4-dichlorophenoxy)piperidin-1-yl]propylamino]-2-oxoethanimidoyl]benzamide is sourced from PubChem (CID 142274584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).