N-[2-(3,4-dichlorophenyl)-4-[4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]piperidin-1-yl]butyl]-N-methylbenzamide

C26H33Cl2N3O2 — CID 22405735

IUPACN-[2-(3,4-dichlorophenyl)-4-[4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]piperidin-1-yl]butyl]-N-methylbenzamide
SMILESCC/C(=N/O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C26H33Cl2N3O2/c1-3-25(29-33)19-11-14-31(15-12-19)16-13-22(21-9-10-23(27)24(28)17-21)18-30(2)26(32)20-7-5-4-6-8-20/h4-10,17,19,22,33H,3,11-16,18H2,1-2H3/b29-25-
InChIKeyPZTWDJKSLNKKSA-GNVQSUKOSA-N
MW490.48 g/mol
LogP6.19
Rot. Bonds9

About N-[2-(3,4-dichlorophenyl)-4-[4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]piperidin-1-yl]butyl]-N-methylbenzamide

N-[2-(3,4-dichlorophenyl)-4-[4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]piperidin-1-yl]butyl]-N-methylbenzamide (PubChem CID 22405735) has the molecular formula C26H33Cl2N3O2 and a molecular weight of 490.48 g/mol. Its IUPAC name is N-[2-(3,4-dichlorophenyl)-4-[4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]piperidin-1-yl]butyl]-N-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3,4-dichlorophenyl)-4-[4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]piperidin-1-yl]butyl]-N-methylbenzamide
PubChem CID22405735
Molecular FormulaC26H33Cl2N3O2
Molecular Weight490.48 g/mol
Exact Mass489.19
IUPAC NameN-[2-(3,4-dichlorophenyl)-4-[4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]piperidin-1-yl]butyl]-N-methylbenzamide
SMILESCC/C(=N/O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C26H33Cl2N3O2/c1-3-25(29-33)19-11-14-31(15-12-19)16-13-22(21-9-10-23(27)24(28)17-21)18-30(2)26(32)20-7-5-4-6-8-20/h4-10,17,19,22,33H,3,11-16,18H2,1-2H3/b29-25-
InChIKeyPZTWDJKSLNKKSA-GNVQSUKOSA-N
XLogP6.19
TPSA56.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.48
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-(3,4-dichlorophenyl)-4-[4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]piperidin-1-yl]butyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Saredutant
CID 104974
Osanetant
CID 219077
Benzamide,N-[4-[4-(acetylamino)-4-phenyl-1-piperidinyl]-2-(3,4-dichlorophenyl)butyl]-N-methyl-
CID 9850582
3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-2-[(Z)-methoxyimino]-5-[4-(3-methyl-2-oxo-tetrahydro-pyrimidin-1-yl)-piperidin-1-yl]-pentyl}-N-methyl-benzamide
CID 9852630
3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyimino-5-(2-oxo-[1,4'']bipiperidinyl-1''-yl)-pentyl]-N-ethyl-benzamide
CID 9874206
3,5-Dichloro-N-[(2Z,3R)-3-(3,4-dichlorophenyl)-2-methoxyimino-5-[4-[(3R)-3-[2-(methylamino)-2-oxoethyl]-2-oxopiperidin-1-yl]piperidin-1-yl]pentyl]-N-methylbenzamide
CID 9875034
N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(3-hydroxypentan-3-yl)piperidin-1-yl]butyl]-N-methylbenzamide
CID 54537190
3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-{4-[3-(2-hydroxy-2-methyl-propyl)-2-oxo-tetrahydro-pyrimidin-1-yl]-piperidin-1-yl}-2-[(Z)-methoxyimino]-pentyl}-N-methyl-benzamide
CID 9810434
3,5-Dichloro-N-{(R)-3-(3,4-dichloro-phenyl)-5-[4-(3-hydroxy-2-oxo-tetrahydro-pyrimidin-1-yl)-piperidin-1-yl]-2-[(Z)-methoxyimino]-pentyl}-N-methyl-benzamide
CID 9831075
N-{(R)-5-[4-(3-Carbamoylmethyl-2-oxo-tetrahydro-pyrimidin-1-yl)-piperidin-1-yl]-3-(3,4-dichloro-phenyl)-2-[(Z)-methoxyimino]-pentyl}-3,5-dichloro-N-methyl-benzamide
CID 9831546
N-[(2Z,3R)-5-[4-[3-[(2Z)-2-amino-2-hydroxyiminoethyl]-2-oxo-1,3-diazinan-1-yl]piperidin-1-yl]-3-(3,4-dichlorophenyl)-2-methoxyiminopentyl]-3,5-dichloro-N-methylbenzamide
CID 9875056
3,5-dichloro-N-[(2Z)-3-(3,4-dichlorophenyl)-5-[4-[3-[2-(dimethylamino)-2-oxoethyl]-2-oxopiperidin-1-yl]piperidin-1-yl]-2-methoxyiminopentyl]-N-methylbenzamide
CID 9875181

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dichlorophenyl)-4-[4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]piperidin-1-yl]butyl]-N-methylbenzamide?
The IUPAC name of N-[2-(3,4-dichlorophenyl)-4-[4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]piperidin-1-yl]butyl]-N-methylbenzamide (CID 22405735) is N-[2-(3,4-dichlorophenyl)-4-[4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]piperidin-1-yl]butyl]-N-methylbenzamide.
What is the SMILES notation for N-[2-(3,4-dichlorophenyl)-4-[4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]piperidin-1-yl]butyl]-N-methylbenzamide?
The canonical SMILES for N-[2-(3,4-dichlorophenyl)-4-[4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]piperidin-1-yl]butyl]-N-methylbenzamide is CC/C(=N/O)C1CCN(CCC(CN(C)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of N-[2-(3,4-dichlorophenyl)-4-[4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]piperidin-1-yl]butyl]-N-methylbenzamide?
The InChIKey is PZTWDJKSLNKKSA-GNVQSUKOSA-N. The full InChI is InChI=1S/C26H33Cl2N3O2/c1-3-25(29-33)19-11-14-31(15-12-19)16-13-22(21-9-10-23(27)24(28)17-21)18-30(2)26(32)20-7-5-4-6-8-20/h4-10,17,19,22,33H,3,11-16,18H2,1-2H3/b29-25-.
What are the key properties of N-[2-(3,4-dichlorophenyl)-4-[4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]piperidin-1-yl]butyl]-N-methylbenzamide?
N-[2-(3,4-dichlorophenyl)-4-[4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]piperidin-1-yl]butyl]-N-methylbenzamide has a molecular weight of 490.48 g/mol, XLogP of 6.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dichlorophenyl)-4-[4-[(Z)-C-ethyl-N-hydroxycarbonimidoyl]piperidin-1-yl]butyl]-N-methylbenzamide is sourced from PubChem (CID 22405735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).