3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride

C20H33ClN2O2 — CID 119784406

IUPAC3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride
SMILESCC(C)c1ccccc1OCCNC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C20H32N2O2.ClH/c1-15(2)18-6-4-5-7-19(18)24-13-12-22-20(23)14-16(3)17-8-10-21-11-9-17;/h4-7,15-17,21H,8-14H2,1-3H3,(H,22,23);1H
InChIKeyWLZDDZJHXUNRQY-UHFFFAOYSA-N
MW368.95 g/mol
LogP3.75
Rot. Bonds8

About 3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride

3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride (PubChem CID 119784406) has the molecular formula C20H33ClN2O2 and a molecular weight of 368.95 g/mol. Its IUPAC name is 3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride
PubChem CID119784406
Molecular FormulaC20H33ClN2O2
Molecular Weight368.95 g/mol
Exact Mass368.22
IUPAC Name3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride
SMILESCC(C)c1ccccc1OCCNC(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C20H32N2O2.ClH/c1-15(2)18-6-4-5-7-19(18)24-13-12-22-20(23)14-16(3)17-8-10-21-11-9-17;/h4-7,15-17,21H,8-14H2,1-3H3,(H,22,23);1H
InChIKeyWLZDDZJHXUNRQY-UHFFFAOYSA-N
XLogP3.75
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.95
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylphenoxy)ethyl]-3-piperidin-4-ylbutanamide
CID 119742942
N-(2-naphthalen-1-yloxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119738762
N-(2-phenoxyethyl)-3-piperidin-4-ylbutanamide
CID 119684535
N-(2-phenylmethoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119770174
N-[2-(3-acetamidophenoxy)ethyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119776231
N-(3,3-diphenylpropyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119675926
N-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119900787
N-(2-methoxyethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119669583
N-[2-hydroxy-2-(2-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119730501
N-(2-phenylsulfanylethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119691430
N-[2-(2-propan-2-ylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119784417
N-[3-(3-methoxyphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119797678

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride?
The IUPAC name of 3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride (CID 119784406) is 3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride?
The canonical SMILES for 3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride is CC(C)c1ccccc1OCCNC(=O)CC(C)C1CCNCC1.Cl.
What is the InChIKey of 3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride?
The InChIKey is WLZDDZJHXUNRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O2.ClH/c1-15(2)18-6-4-5-7-19(18)24-13-12-22-20(23)14-16(3)17-8-10-21-11-9-17;/h4-7,15-17,21H,8-14H2,1-3H3,(H,22,23);1H.
What are the key properties of 3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride?
3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride has a molecular weight of 368.95 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-N-[2-(2-propan-2-ylphenoxy)ethyl]butanamide;hydrochloride is sourced from PubChem (CID 119784406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).