N-methyl-4-(oxolan-2-ylmethoxy)-N-[(4-piperidin-1-ylphenyl)methyl]benzamide

C25H32N2O3 — CID 46662287

IUPACN-methyl-4-(oxolan-2-ylmethoxy)-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C25H32N2O3/c1-26(18-20-7-11-22(12-8-20)27-15-3-2-4-16-27)25(28)21-9-13-23(14-10-21)30-19-24-6-5-17-29-24/h7-14,24H,2-6,15-19H2,1H3
InChIKeyKKIHJFNSGRBCCM-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.51
Rot. Bonds7

About N-methyl-4-(oxolan-2-ylmethoxy)-N-[(4-piperidin-1-ylphenyl)methyl]benzamide

N-methyl-4-(oxolan-2-ylmethoxy)-N-[(4-piperidin-1-ylphenyl)methyl]benzamide (PubChem CID 46662287) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is N-methyl-4-(oxolan-2-ylmethoxy)-N-[(4-piperidin-1-ylphenyl)methyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-(oxolan-2-ylmethoxy)-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
PubChem CID46662287
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC NameN-methyl-4-(oxolan-2-ylmethoxy)-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
SMILESCN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C25H32N2O3/c1-26(18-20-7-11-22(12-8-20)27-15-3-2-4-16-27)25(28)21-9-13-23(14-10-21)30-19-24-6-5-17-29-24/h7-14,24H,2-6,15-19H2,1H3
InChIKeyKKIHJFNSGRBCCM-UHFFFAOYSA-N
XLogP4.51
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze N-methyl-4-(oxolan-2-ylmethoxy)-N-[(4-piperidin-1-ylphenyl)methyl]benzamide 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

4-[[ethyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512059
4-(2-amino-2-oxoethoxy)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 24551846
N-[5-(azepan-1-ylmethyl)-2,3-dihydro-1H-inden-2-yl]-N-methyl-4-(oxolan-2-ylmethoxy)benzamide
CID 76682532
2-[methyl-[4-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119209049
3,4,5-trimethoxy-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 24551923
N-[1-(4-hydroxyphenyl)ethyl]acetamide;1-[4-(oxolan-2-ylmethoxy)phenyl]pyrrolidine
CID 144603074
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propanoylphenoxy)acetamide
CID 55416112
4-[[(2R)-oxolan-2-yl]methoxy]-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]benzamide
CID 41412055
4-(oxolan-2-ylmethoxy)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 55585097
(3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119113571
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777666

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(oxolan-2-ylmethoxy)-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
The IUPAC name of N-methyl-4-(oxolan-2-ylmethoxy)-N-[(4-piperidin-1-ylphenyl)methyl]benzamide (CID 46662287) is N-methyl-4-(oxolan-2-ylmethoxy)-N-[(4-piperidin-1-ylphenyl)methyl]benzamide.
What is the SMILES notation for N-methyl-4-(oxolan-2-ylmethoxy)-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
The canonical SMILES for N-methyl-4-(oxolan-2-ylmethoxy)-N-[(4-piperidin-1-ylphenyl)methyl]benzamide is CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N-methyl-4-(oxolan-2-ylmethoxy)-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
The InChIKey is KKIHJFNSGRBCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-26(18-20-7-11-22(12-8-20)27-15-3-2-4-16-27)25(28)21-9-13-23(14-10-21)30-19-24-6-5-17-29-24/h7-14,24H,2-6,15-19H2,1H3.
What are the key properties of N-methyl-4-(oxolan-2-ylmethoxy)-N-[(4-piperidin-1-ylphenyl)methyl]benzamide?
N-methyl-4-(oxolan-2-ylmethoxy)-N-[(4-piperidin-1-ylphenyl)methyl]benzamide has a molecular weight of 408.54 g/mol, XLogP of 4.51, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(oxolan-2-ylmethoxy)-N-[(4-piperidin-1-ylphenyl)methyl]benzamide is sourced from PubChem (CID 46662287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).