N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-phenoxybutanamide

C22H30N2O3 — CID 112503523

IUPACN-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-phenoxybutanamide
SMILESCC1CCN(C(CNC(=O)CCCOc2ccccc2)c2ccco2)CC1
InChIInChI=1S/C22H30N2O3/c1-18-11-13-24(14-12-18)20(21-9-5-16-27-21)17-23-22(25)10-6-15-26-19-7-3-2-4-8-19/h2-5,7-9,16,18,20H,6,10-15,17H2,1H3,(H,23,25)
InChIKeyUXIHTPQWHUBVCV-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.03
Rot. Bonds9

About N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-phenoxybutanamide

N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-phenoxybutanamide (PubChem CID 112503523) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-phenoxybutanamide
PubChem CID112503523
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-phenoxybutanamide
SMILESCC1CCN(C(CNC(=O)CCCOc2ccccc2)c2ccco2)CC1
InChIInChI=1S/C22H30N2O3/c1-18-11-13-24(14-12-18)20(21-9-5-16-27-21)17-23-22(25)10-6-15-26-19-7-3-2-4-8-19/h2-5,7-9,16,18,20H,6,10-15,17H2,1H3,(H,23,25)
InChIKeyUXIHTPQWHUBVCV-UHFFFAOYSA-N
XLogP4.03
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.03
H-Bond Donors ≤ 51
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-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide
CID 51162656
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenoxy)butanamide
CID 134018677
4-(3-fluorophenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]butanamide
CID 55928920
4-(2-bromophenoxy)-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 51952483
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 55204450
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methylphenoxy)propanamide
CID 2468270
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 93157841
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 60636600
4-bromo-N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide;hydrochloride
CID 52985470
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 7780304
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
phenyl N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]carbamate
CID 112503288

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-phenoxybutanamide?
The IUPAC name of N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-phenoxybutanamide (CID 112503523) is N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-phenoxybutanamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-phenoxybutanamide is CC1CCN(C(CNC(=O)CCCOc2ccccc2)c2ccco2)CC1.
What is the InChIKey of N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-phenoxybutanamide?
The InChIKey is UXIHTPQWHUBVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-18-11-13-24(14-12-18)20(21-9-5-16-27-21)17-23-22(25)10-6-15-26-19-7-3-2-4-8-19/h2-5,7-9,16,18,20H,6,10-15,17H2,1H3,(H,23,25).
What are the key properties of N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-phenoxybutanamide?
N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-phenoxybutanamide has a molecular weight of 370.49 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-phenoxybutanamide is sourced from PubChem (CID 112503523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).