N-[2-(3-acetamidophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C18H28ClN3O4 — CID 120631171

IUPACN-[2-(3-acetamidophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCCOc2cccc(NC(C)=O)c2)CCNCC1.Cl
InChIInChI=1S/C18H27N3O4.ClH/c1-14(22)21-15-4-3-5-16(12-15)25-11-10-20-17(23)18(13-24-2)6-8-19-9-7-18;/h3-5,12,19H,6-11,13H2,1-2H3,(H,20,23)(H,21,22);1H
InChIKeyVKGASCHTFOWSSE-UHFFFAOYSA-N
MW385.89 g/mol
LogP1.58
Rot. Bonds8

About N-[2-(3-acetamidophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[2-(3-acetamidophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120631171) has the molecular formula C18H28ClN3O4 and a molecular weight of 385.89 g/mol. Its IUPAC name is N-[2-(3-acetamidophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-acetamidophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120631171
Molecular FormulaC18H28ClN3O4
Molecular Weight385.89 g/mol
Exact Mass385.18
IUPAC NameN-[2-(3-acetamidophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCCOc2cccc(NC(C)=O)c2)CCNCC1.Cl
InChIInChI=1S/C18H27N3O4.ClH/c1-14(22)21-15-4-3-5-16(12-15)25-11-10-20-17(23)18(13-24-2)6-8-19-9-7-18;/h3-5,12,19H,6-11,13H2,1-2H3,(H,20,23)(H,21,22);1H
InChIKeyVKGASCHTFOWSSE-UHFFFAOYSA-N
XLogP1.58
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(3-acetamidophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride 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-[2-(3-chlorophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120623811
4-(methoxymethyl)-N-(2-phenoxyethyl)piperidine-4-carboxamide;hydrochloride
CID 120617692
4-(methoxymethyl)-N-[3-(3-methoxypropoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120638200
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120621139
N-[2-(2,6-dimethylphenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120623806
N-(3-anilino-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120632986
N-[2-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119776231
N-[3-[(3-fluorophenyl)methoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120624422
4-(methoxymethyl)-N-[2-(2-propan-2-ylphenoxy)ethyl]piperidine-4-carboxamide
CID 120632708
4-(methoxymethyl)-N-[2-(2-phenylphenoxy)ethyl]piperidine-4-carboxamide
CID 120626270
N-[2-(3-acetamidophenoxy)ethyl]-3-aminopropanamide;hydrochloride
CID 119319260
N-[2-(3-bromophenoxy)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119746393

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetamidophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3-acetamidophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120631171) is N-[2-(3-acetamidophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3-acetamidophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3-acetamidophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NCCOc2cccc(NC(C)=O)c2)CCNCC1.Cl.
What is the InChIKey of N-[2-(3-acetamidophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is VKGASCHTFOWSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4.ClH/c1-14(22)21-15-4-3-5-16(12-15)25-11-10-20-17(23)18(13-24-2)6-8-19-9-7-18;/h3-5,12,19H,6-11,13H2,1-2H3,(H,20,23)(H,21,22);1H.
What are the key properties of N-[2-(3-acetamidophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[2-(3-acetamidophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 385.89 g/mol, XLogP of 1.58, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetamidophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120631171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).