N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide

C21H28N2O3 — CID 51162656

IUPACN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C21H28N2O3/c24-21(12-8-15-25-18-9-3-1-4-10-18)22-17-19(20-11-7-16-26-20)23-13-5-2-6-14-23/h1,3-4,7,9-11,16,19H,2,5-6,8,12-15,17H2,(H,22,24)
InChIKeyIHKIHPOVFTWJDA-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.78
Rot. Bonds9

About N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide

N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide (PubChem CID 51162656) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide
PubChem CID51162656
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC NameN-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C21H28N2O3/c24-21(12-8-15-25-18-9-3-1-4-10-18)22-17-19(20-11-7-16-26-20)23-13-5-2-6-14-23/h1,3-4,7,9-11,16,19H,2,5-6,8,12-15,17H2,(H,22,24)
InChIKeyIHKIHPOVFTWJDA-UHFFFAOYSA-N
XLogP3.78
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.78
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

4-(3-fluorophenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]butanamide
CID 55928920
N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-phenoxybutanamide
CID 112503523
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-(2-methylphenoxy)butanamide
CID 134018677
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-[4-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-oxobutyl]benzamide
CID 46522317
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
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

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide?
The IUPAC name of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide (CID 51162656) is N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide is O=C(CCCOc1ccccc1)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide?
The InChIKey is IHKIHPOVFTWJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c24-21(12-8-15-25-18-9-3-1-4-10-18)22-17-19(20-11-7-16-26-20)23-13-5-2-6-14-23/h1,3-4,7,9-11,16,19H,2,5-6,8,12-15,17H2,(H,22,24).
What are the key properties of N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide?
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-phenoxybutanamide has a molecular weight of 356.47 g/mol, XLogP of 3.78, 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-piperidin-1-ylethyl]-4-phenoxybutanamide is sourced from PubChem (CID 51162656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).