N-ethyl-N-[(3-fluorophenyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

C20H23FN2O3 — CID 134048626

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C20H23FN2O3/c1-2-22(13-15-4-3-5-18(21)12-15)19(24)16-6-9-23(10-7-16)20(25)17-8-11-26-14-17/h3-5,8,11-12,14,16H,2,6-7,9-10,13H2,1H3
InChIKeyFTVGZQMBQCVHER-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.32
Rot. Bonds5

About N-ethyl-N-[(3-fluorophenyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide

N-ethyl-N-[(3-fluorophenyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (PubChem CID 134048626) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
PubChem CID134048626
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C20H23FN2O3/c1-2-22(13-15-4-3-5-18(21)12-15)19(24)16-6-9-23(10-7-16)20(25)17-8-11-26-14-17/h3-5,8,11-12,14,16H,2,6-7,9-10,13H2,1H3
InChIKeyFTVGZQMBQCVHER-UHFFFAOYSA-N
XLogP3.32
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(dimethylcarbamoyl)phenyl]methyl]-N-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 56512423
N-benzyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 35552274
N-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55856025
3-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550301
N-benzyl-N-ethyl-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004395
N-ethyl-N-[(3-fluorophenyl)methyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 91941986
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
N,N-diethyl-1-[1-[(3-fluorophenyl)methyl-methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 86870583
trans-(1S,2S)-2-amino-N-ethyl-N-[(3-fluorophenyl)methyl]cyclopentane-1-carboxamide
CID 97033071
1-(furan-3-carbonyl)-N-(furan-2-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 35699759
N-cyclopropyl-1-(2,2-dimethylpropanoyl)-N-[(3-fluorophenyl)methyl]piperidine-4-carboxamide
CID 55582556
N-cycloheptyl-1-(furan-3-carbonyl)-N-methylpiperidine-4-carboxamide
CID 134048834

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide (CID 134048626) is N-ethyl-N-[(3-fluorophenyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is CCN(Cc1cccc(F)c1)C(=O)C1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is FTVGZQMBQCVHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-2-22(13-15-4-3-5-18(21)12-15)19(24)16-6-9-23(10-7-16)20(25)17-8-11-26-14-17/h3-5,8,11-12,14,16H,2,6-7,9-10,13H2,1H3.
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide?
N-ethyl-N-[(3-fluorophenyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 358.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-fluorophenyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 134048626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).