4-(3-fluorophenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]butanamide

C21H27FN2O3 — CID 55928920

IUPAC4-(3-fluorophenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]butanamide
SMILESO=C(CCCOc1cccc(F)c1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C21H27FN2O3/c22-17-7-4-8-18(15-17)26-13-6-10-21(25)23-16-19(20-9-5-14-27-20)24-11-2-1-3-12-24/h4-5,7-9,14-15,19H,1-3,6,10-13,16H2,(H,23,25)
InChIKeyQKPVJWNLAANZKF-UHFFFAOYSA-N
MW374.46 g/mol
LogP3.92
Rot. Bonds9

About 4-(3-fluorophenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]butanamide

4-(3-fluorophenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]butanamide (PubChem CID 55928920) has the molecular formula C21H27FN2O3 and a molecular weight of 374.46 g/mol. Its IUPAC name is 4-(3-fluorophenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]butanamide.

Molecular Properties

Compound Name4-(3-fluorophenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]butanamide
PubChem CID55928920
Molecular FormulaC21H27FN2O3
Molecular Weight374.46 g/mol
Exact Mass374.20
IUPAC Name4-(3-fluorophenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]butanamide
SMILESO=C(CCCOc1cccc(F)c1)NCC(c1ccco1)N1CCCCC1
InChIInChI=1S/C21H27FN2O3/c22-17-7-4-8-18(15-17)26-13-6-10-21(25)23-16-19(20-9-5-14-27-20)24-11-2-1-3-12-24/h4-5,7-9,14-15,19H,1-3,6,10-13,16H2,(H,23,25)
InChIKeyQKPVJWNLAANZKF-UHFFFAOYSA-N
XLogP3.92
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 53.92
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-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(3-methylphenoxy)propanamide
CID 2468270
2-(3-fluorophenyl)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]acetamide
CID 51162683
4-chloro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]butanamide
CID 55204450
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
N-[2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-phenoxybutanamide
CID 112503523
3-butoxy-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzamide
CID 45133052
N-[2-(azepan-1-yl)-2-(furan-2-yl)ethyl]butanamide
CID 112503325
4-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxobutanamide
CID 110302511
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 4-(3-fluorophenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]butanamide?
The IUPAC name of 4-(3-fluorophenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]butanamide (CID 55928920) is 4-(3-fluorophenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]butanamide.
What is the SMILES notation for 4-(3-fluorophenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]butanamide?
The canonical SMILES for 4-(3-fluorophenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]butanamide is O=C(CCCOc1cccc(F)c1)NCC(c1ccco1)N1CCCCC1.
What is the InChIKey of 4-(3-fluorophenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]butanamide?
The InChIKey is QKPVJWNLAANZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3/c22-17-7-4-8-18(15-17)26-13-6-10-21(25)23-16-19(20-9-5-14-27-20)24-11-2-1-3-12-24/h4-5,7-9,14-15,19H,1-3,6,10-13,16H2,(H,23,25).
What are the key properties of 4-(3-fluorophenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]butanamide?
4-(3-fluorophenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]butanamide has a molecular weight of 374.46 g/mol, XLogP of 3.92, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenoxy)-N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]butanamide is sourced from PubChem (CID 55928920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).