N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide

C17H26N2O2 — CID 119442665

IUPACN-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide
SMILESCc1cccc(OCCCC(=O)N(C)C2CCNCC2)c1
InChIInChI=1S/C17H26N2O2/c1-14-5-3-6-16(13-14)21-12-4-7-17(20)19(2)15-8-10-18-11-9-15/h3,5-6,13,15,18H,4,7-12H2,1-2H3
InChIKeyOXLNVJRYOZVBTI-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.36
Rot. Bonds6

About N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide

N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide (PubChem CID 119442665) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide
PubChem CID119442665
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide
SMILESCc1cccc(OCCCC(=O)N(C)C2CCNCC2)c1
InChIInChI=1S/C17H26N2O2/c1-14-5-3-6-16(13-14)21-12-4-7-17(20)19(2)15-8-10-18-11-9-15/h3,5-6,13,15,18H,4,7-12H2,1-2H3
InChIKeyOXLNVJRYOZVBTI-UHFFFAOYSA-N
XLogP2.36
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide 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-(3-acetylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119443722
4-(3-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119553657
3-(3,5-dimethylphenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 119443487
4-(3-acetylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119553580
4-(4-chloro-3-methylphenoxy)-N-methyl-N-piperidin-4-ylbutanamide;hydrochloride
CID 119442076
4-(3-bromophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119552447
N-methyl-N-[2-(3-methylphenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119922769
N-methyl-N-[3-(3-methylphenoxy)propyl]pyrrolidin-3-amine
CID 63301419
3-(3-methylphenoxy)-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 60807030
4-(4-chloro-3-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119551230
2-[2-(3-methylphenoxy)ethyl-piperidin-4-ylamino]acetamide
CID 60802291
N-[3-(3-methylphenoxy)propyl]-N-propylpiperidin-4-amine
CID 60806318

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide?
The IUPAC name of N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide (CID 119442665) is N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide.
What is the SMILES notation for N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide?
The canonical SMILES for N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide is Cc1cccc(OCCCC(=O)N(C)C2CCNCC2)c1.
What is the InChIKey of N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide?
The InChIKey is OXLNVJRYOZVBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14-5-3-6-16(13-14)21-12-4-7-17(20)19(2)15-8-10-18-11-9-15/h3,5-6,13,15,18H,4,7-12H2,1-2H3.
What are the key properties of N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide?
N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide has a molecular weight of 290.41 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(3-methylphenoxy)-N-piperidin-4-ylbutanamide is sourced from PubChem (CID 119442665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).