N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

C23H26Cl2N2O3 — CID 78901386

IUPACN-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C23H26Cl2N2O3/c1-26(16-17-7-8-20(24)21(25)15-17)23(29)18-9-12-27(13-10-18)22(28)11-14-30-19-5-3-2-4-6-19/h2-8,15,18H,9-14,16H2,1H3
InChIKeyDTPDNFOCBDSPIV-UHFFFAOYSA-N
MW449.38 g/mol
LogP4.66
Rot. Bonds7

About N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide

N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (PubChem CID 78901386) has the molecular formula C23H26Cl2N2O3 and a molecular weight of 449.38 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
PubChem CID78901386
Molecular FormulaC23H26Cl2N2O3
Molecular Weight449.38 g/mol
Exact Mass448.13
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C23H26Cl2N2O3/c1-26(16-17-7-8-20(24)21(25)15-17)23(29)18-9-12-27(13-10-18)22(28)11-14-30-19-5-3-2-4-6-19/h2-8,15,18H,9-14,16H2,1H3
InChIKeyDTPDNFOCBDSPIV-UHFFFAOYSA-N
XLogP4.66
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.38
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide 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

N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004142
N-[(2-bromophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55854082
tert-butyl 4-[(3,4-dichlorophenyl)methyl-methylcarbamoyl]piperidine-1-carboxylate
CID 31189919
2-methyl-3-[methyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]propanoic acid
CID 119228405
N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004404
N-[(4-methoxyphenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55631044
N-methyl-1-(3-phenoxypropanoyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 55861746
N-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55856025
N-[(4-ethylphenyl)methyl]-1-(3-phenoxypropanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55876010
2-[cyclopropyl-[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]amino]acetic acid
CID 119195099
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55630456
2-[[1-(3-phenoxypropanoyl)piperidine-4-carbonyl]-propan-2-ylamino]acetic acid
CID 119198435

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (CID 78901386) is N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is DTPDNFOCBDSPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O3/c1-26(16-17-7-8-20(24)21(25)15-17)23(29)18-9-12-27(13-10-18)22(28)11-14-30-19-5-3-2-4-6-19/h2-8,15,18H,9-14,16H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 449.38 g/mol, XLogP of 4.66, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 78901386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).