N-[2-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride

C19H30ClN3O3 — CID 119776231

IUPACN-[2-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(=O)Nc1cccc(OCCNC(=O)CC(C)C2CCNCC2)c1.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-14(16-6-8-20-9-7-16)12-19(24)21-10-11-25-18-5-3-4-17(13-18)22-15(2)23;/h3-5,13-14,16,20H,6-12H2,1-2H3,(H,21,24)(H,22,23);1H
InChIKeyJDODTLUUVPUJKM-UHFFFAOYSA-N
MW383.92 g/mol
LogP2.59
Rot. Bonds8

About N-[2-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[2-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119776231) has the molecular formula C19H30ClN3O3 and a molecular weight of 383.92 g/mol. Its IUPAC name is N-[2-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119776231
Molecular FormulaC19H30ClN3O3
Molecular Weight383.92 g/mol
Exact Mass383.20
IUPAC NameN-[2-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCC(=O)Nc1cccc(OCCNC(=O)CC(C)C2CCNCC2)c1.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-14(16-6-8-20-9-7-16)12-19(24)21-10-11-25-18-5-3-4-17(13-18)22-15(2)23;/h3-5,13-14,16,20H,6-12H2,1-2H3,(H,21,24)(H,22,23);1H
InChIKeyJDODTLUUVPUJKM-UHFFFAOYSA-N
XLogP2.59
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
CID 119684535
N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119797678
N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
N-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119738762
3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride
CID 119784406
N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide
CID 119742942
N-(3-cyclopentyloxyphenyl)-3-piperidin-4-ylbutanamide
CID 119714969
3-piperidin-4-yl-N-[3-(pyridin-3-ylmethoxy)phenyl]butanamide
CID 119846178
N-[2-(3-acetamidophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119776242
N-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119714483
N-[2-(3-acetamidophenoxy)ethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120631171
N-[3-(2-phenoxyethoxymethyl)phenyl]-3-piperidin-4-ylbutanamide
CID 119723062

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[2-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119776231) is N-[2-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[2-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[2-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride is CC(=O)Nc1cccc(OCCNC(=O)CC(C)C2CCNCC2)c1.Cl.
What is the InChIKey of N-[2-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is JDODTLUUVPUJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3.ClH/c1-14(16-6-8-20-9-7-16)12-19(24)21-10-11-25-18-5-3-4-17(13-18)22-15(2)23;/h3-5,13-14,16,20H,6-12H2,1-2H3,(H,21,24)(H,22,23);1H.
What are the key properties of N-[2-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[2-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 2.59, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119776231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).