N-methyl-3-[2-(4-piperidin-1-ylbutoxy)phenyl]propanamide

C19H30N2O2 — CID 20719073

IUPACN-methyl-3-[2-(4-piperidin-1-ylbutoxy)phenyl]propanamide
SMILESCNC(=O)CCc1ccccc1OCCCCN1CCCCC1
InChIInChI=1S/C19H30N2O2/c1-20-19(22)12-11-17-9-3-4-10-18(17)23-16-8-7-15-21-13-5-2-6-14-21/h3-4,9-10H,2,5-8,11-16H2,1H3,(H,20,22)
InChIKeyCBQUCEUGYRCKNQ-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.01
Rot. Bonds9

About N-methyl-3-[2-(4-piperidin-1-ylbutoxy)phenyl]propanamide

N-methyl-3-[2-(4-piperidin-1-ylbutoxy)phenyl]propanamide (PubChem CID 20719073) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-methyl-3-[2-(4-piperidin-1-ylbutoxy)phenyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-[2-(4-piperidin-1-ylbutoxy)phenyl]propanamide
PubChem CID20719073
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-methyl-3-[2-(4-piperidin-1-ylbutoxy)phenyl]propanamide
SMILESCNC(=O)CCc1ccccc1OCCCCN1CCCCC1
InChIInChI=1S/C19H30N2O2/c1-20-19(22)12-11-17-9-3-4-10-18(17)23-16-8-7-15-21-13-5-2-6-14-21/h3-4,9-10H,2,5-8,11-16H2,1H3,(H,20,22)
InChIKeyCBQUCEUGYRCKNQ-UHFFFAOYSA-N
XLogP3.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-methyl-3-[2-(4-piperidin-1-ylbutoxy)phenyl]propanamide 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

1-[2-(3-piperidin-1-ylpropoxy)phenyl]propan-2-one
CID 142037946
2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid
CID 11108172
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767
3-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylethoxy)propanamide
CID 110643090
1-[2-(2-butylphenoxy)ethyl]piperidine
CID 5129730
N-(3-morpholin-4-ylpropyl)-3-(2-octadecoxyphenyl)propanamide;hydrochloride
CID 18520283
oxalic acid;1-[3-(2-prop-2-enylphenoxy)propyl]azepane
CID 2944028
1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761
2-[2-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 107713118
1-[2-(2-propylphenoxy)ethyl]pyrrolidine
CID 173254301
3-(2-aminophenyl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 107272754
1-[2-(2-octylphenoxy)ethyl]piperidine chloride
CID 21228798

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[2-(4-piperidin-1-ylbutoxy)phenyl]propanamide?
The IUPAC name of N-methyl-3-[2-(4-piperidin-1-ylbutoxy)phenyl]propanamide (CID 20719073) is N-methyl-3-[2-(4-piperidin-1-ylbutoxy)phenyl]propanamide.
What is the SMILES notation for N-methyl-3-[2-(4-piperidin-1-ylbutoxy)phenyl]propanamide?
The canonical SMILES for N-methyl-3-[2-(4-piperidin-1-ylbutoxy)phenyl]propanamide is CNC(=O)CCc1ccccc1OCCCCN1CCCCC1.
What is the InChIKey of N-methyl-3-[2-(4-piperidin-1-ylbutoxy)phenyl]propanamide?
The InChIKey is CBQUCEUGYRCKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-20-19(22)12-11-17-9-3-4-10-18(17)23-16-8-7-15-21-13-5-2-6-14-21/h3-4,9-10H,2,5-8,11-16H2,1H3,(H,20,22).
What are the key properties of N-methyl-3-[2-(4-piperidin-1-ylbutoxy)phenyl]propanamide?
N-methyl-3-[2-(4-piperidin-1-ylbutoxy)phenyl]propanamide has a molecular weight of 318.46 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[2-(4-piperidin-1-ylbutoxy)phenyl]propanamide is sourced from PubChem (CID 20719073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).