N-[2-(N-ethyl-3-methylanilino)ethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide

C25H32FN3O2 — CID 55739345

IUPACN-[2-(N-ethyl-3-methylanilino)ethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
SMILESCCN(CCNC(=O)C1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1cccc(C)c1
InChIInChI=1S/C25H32FN3O2/c1-3-28(23-8-4-6-19(2)16-23)15-13-27-25(31)21-7-5-14-29(18-21)24(30)17-20-9-11-22(26)12-10-20/h4,6,8-12,16,21H,3,5,7,13-15,17-18H2,1-2H3,(H,27,31)
InChIKeyGVNPAHTUZXFGQD-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.56
Rot. Bonds8

About N-[2-(N-ethyl-3-methylanilino)ethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide

N-[2-(N-ethyl-3-methylanilino)ethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide (PubChem CID 55739345) has the molecular formula C25H32FN3O2 and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[2-(N-ethyl-3-methylanilino)ethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-3-methylanilino)ethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
PubChem CID55739345
Molecular FormulaC25H32FN3O2
Molecular Weight425.55 g/mol
Exact Mass425.25
IUPAC NameN-[2-(N-ethyl-3-methylanilino)ethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
SMILESCCN(CCNC(=O)C1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1cccc(C)c1
InChIInChI=1S/C25H32FN3O2/c1-3-28(23-8-4-6-19(2)16-23)15-13-27-25(31)21-7-5-14-29(18-21)24(30)17-20-9-11-22(26)12-10-20/h4,6,8-12,16,21H,3,5,7,13-15,17-18H2,1-2H3,(H,27,31)
InChIKeyGVNPAHTUZXFGQD-UHFFFAOYSA-N
XLogP3.56
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[2-(4-fluorophenyl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94168679
1-cyclopentyl-N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxopiperidine-3-carboxamide
CID 72860260
(3S)-N,N-diethyl-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 94028091
2-(4-fluorophenyl)-1-[3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 55740764
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620
N-[4-(3,5-dimethylpiperidin-1-yl)butyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55743212
N-[(3-carbamoylphenyl)methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55760283
(2R)-N-[2-(N-ethyl-3-methylanilino)ethyl]piperidine-2-carboxamide;dihydrochloride
CID 119831742
N-[[3-(butanoylamino)phenyl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55782704
1-[2-(4-fluorophenyl)acetyl]-N-(2-methoxy-5-methylphenyl)piperidine-3-carboxamide
CID 55738275
N-[2-(N-ethyl-3-methylanilino)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27754119
3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119831760

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide (CID 55739345) is N-[2-(N-ethyl-3-methylanilino)ethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(N-ethyl-3-methylanilino)ethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(N-ethyl-3-methylanilino)ethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide is CCN(CCNC(=O)C1CCCN(C(=O)Cc2ccc(F)cc2)C1)c1cccc(C)c1.
What is the InChIKey of N-[2-(N-ethyl-3-methylanilino)ethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
The InChIKey is GVNPAHTUZXFGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O2/c1-3-28(23-8-4-6-19(2)16-23)15-13-27-25(31)21-7-5-14-29(18-21)24(30)17-20-9-11-22(26)12-10-20/h4,6,8-12,16,21H,3,5,7,13-15,17-18H2,1-2H3,(H,27,31).
What are the key properties of N-[2-(N-ethyl-3-methylanilino)ethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
N-[2-(N-ethyl-3-methylanilino)ethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide has a molecular weight of 425.55 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-3-methylanilino)ethyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 55739345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).