N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride

C19H31ClN2O3 — CID 119797678

IUPACN-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCOc1cccc(OCCCNC(=O)CC(C)C2CCNCC2)c1.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-15(16-7-10-20-11-8-16)13-19(22)21-9-4-12-24-18-6-3-5-17(14-18)23-2;/h3,5-6,14-16,20H,4,7-13H2,1-2H3,(H,21,22);1H
InChIKeyOJZCKGCGOHIYEB-UHFFFAOYSA-N
MW370.92 g/mol
LogP3.03
Rot. Bonds9

About N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride

N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119797678) has the molecular formula C19H31ClN2O3 and a molecular weight of 370.92 g/mol. Its IUPAC name is N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119797678
Molecular FormulaC19H31ClN2O3
Molecular Weight370.92 g/mol
Exact Mass370.20
IUPAC NameN-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
SMILESCOc1cccc(OCCCNC(=O)CC(C)C2CCNCC2)c1.Cl
InChIInChI=1S/C19H30N2O3.ClH/c1-15(16-7-10-20-11-8-16)13-19(22)21-9-4-12-24-18-6-3-5-17(14-18)23-2;/h3,5-6,14-16,20H,4,7-13H2,1-2H3,(H,21,22);1H
InChIKeyOJZCKGCGOHIYEB-UHFFFAOYSA-N
XLogP3.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 53.03
H-Bond Donors ≤ 52
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-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119776231
N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
CID 119684535
N-[[2-(3-methoxyphenoxy)-3-pyridinyl]methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119892786
4-methoxy-N-[2-(3-piperidin-4-ylbutanoylamino)ethyl]benzamide;hydrochloride
CID 119718894
N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide
CID 119742942
N-(3-ethoxypropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675580
N-[3-(2-methoxyethoxy)propyl]-3-piperidin-4-ylbutanamide
CID 119693914
N-[2-(2,5-dimethoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119705625
N-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119738762
N-[(3-ethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119714483
N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide
CID 113099793
N-[3-(3,4-dimethoxyphenyl)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119754667

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride (CID 119797678) is N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride is COc1cccc(OCCCNC(=O)CC(C)C2CCNCC2)c1.Cl.
What is the InChIKey of N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is OJZCKGCGOHIYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3.ClH/c1-15(16-7-10-20-11-8-16)13-19(22)21-9-4-12-24-18-6-3-5-17(14-18)23-2;/h3,5-6,14-16,20H,4,7-13H2,1-2H3,(H,21,22);1H.
What are the key properties of N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride?
N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 370.92 g/mol, XLogP of 3.03, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119797678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).