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

C24H29FN2O3 — CID 55856025

IUPACN-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C24H29FN2O3/c1-2-26(18-19-7-6-8-21(25)17-19)24(29)20-11-14-27(15-12-20)23(28)13-16-30-22-9-4-3-5-10-22/h3-10,17,20H,2,11-16,18H2,1H3
InChIKeyXXQNXKZAKOZEBN-UHFFFAOYSA-N
MW412.51 g/mol
LogP3.88
Rot. Bonds8

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

N-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (PubChem CID 55856025) has the molecular formula C24H29FN2O3 and a molecular weight of 412.51 g/mol. Its IUPAC name is N-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
PubChem CID55856025
Molecular FormulaC24H29FN2O3
Molecular Weight412.51 g/mol
Exact Mass412.22
IUPAC NameN-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1
InChIInChI=1S/C24H29FN2O3/c1-2-26(18-19-7-6-8-21(25)17-19)24(29)20-11-14-27(15-12-20)23(28)13-16-30-22-9-4-3-5-10-22/h3-10,17,20H,2,11-16,18H2,1H3
InChIKeyXXQNXKZAKOZEBN-UHFFFAOYSA-N
XLogP3.88
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004404
N-butyl-N-ethyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55855912
N-benzyl-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 113004142
N-[(4-ethylphenyl)methyl]-1-(3-phenoxypropanoyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 55876010
N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-3-carboxamide
CID 55993592
N-[(3,4-dichlorophenyl)methyl]-N-methyl-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 78901386
N-ethyl-N-[(3-fluorophenyl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 134048626
N-ethyl-N-[(3-fluorophenyl)methyl]-1-(2-phenylethenylsulfonyl)piperidine-4-carboxamide
CID 91941986
N-[(3,4-dimethoxyphenyl)methyl]-N-ethyl-1-(3-phenylpropanoyl)piperidine-4-carboxamide
CID 46409786
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
3-[ethyl-[(3-fluorophenyl)methyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550301
N-benzyl-N-ethyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113004413

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide (CID 55856025) is N-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide is CCN(Cc1cccc(F)c1)C(=O)C1CCN(C(=O)CCOc2ccccc2)CC1.
What is the InChIKey of N-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
The InChIKey is XXQNXKZAKOZEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O3/c1-2-26(18-19-7-6-8-21(25)17-19)24(29)20-11-14-27(15-12-20)23(28)13-16-30-22-9-4-3-5-10-22/h3-10,17,20H,2,11-16,18H2,1H3.
What are the key properties of N-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide?
N-ethyl-N-[(3-fluorophenyl)methyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide has a molecular weight of 412.51 g/mol, XLogP of 3.88, 8 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-(3-phenoxypropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55856025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).