N-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide

C18H25F2N3O3 — CID 91913300

IUPACN-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide
SMILESCOCCC(=O)NCCC1CCN(C(=O)Nc2cc(F)ccc2F)CC1
InChIInChI=1S/C18H25F2N3O3/c1-26-11-7-17(24)21-8-4-13-5-9-23(10-6-13)18(25)22-16-12-14(19)2-3-15(16)20/h2-3,12-13H,4-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyRNNKAWVARZZKNV-UHFFFAOYSA-N
MW369.41 g/mol
LogP2.75
Rot. Bonds7

About N-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide

N-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide (PubChem CID 91913300) has the molecular formula C18H25F2N3O3 and a molecular weight of 369.41 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide
PubChem CID91913300
Molecular FormulaC18H25F2N3O3
Molecular Weight369.41 g/mol
Exact Mass369.19
IUPAC NameN-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide
SMILESCOCCC(=O)NCCC1CCN(C(=O)Nc2cc(F)ccc2F)CC1
InChIInChI=1S/C18H25F2N3O3/c1-26-11-7-17(24)21-8-4-13-5-9-23(10-6-13)18(25)22-16-12-14(19)2-3-15(16)20/h2-3,12-13H,4-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyRNNKAWVARZZKNV-UHFFFAOYSA-N
XLogP2.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-difluorophenyl)-4-[2-[[2-(3-fluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 91903624
4-[2-(3-methoxypropanoylamino)ethyl]-N-phenylpiperidine-1-carboxamide
CID 91913194
4-(2-aminoethyl)-N-(2,5-difluorophenyl)piperidine-1-carboxamide;dihydrochloride
CID 155823379
N-[2-[1-[(2,5-difluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyrazine-2-carboxamide
CID 91903616
N-(2,5-difluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223019
N-(3,5-difluorophenyl)-4-[2-[(2-methoxyacetyl)amino]ethyl]piperidine-1-carboxamide
CID 91913317
N-(2-bromo-4-fluorophenyl)-4-[2-(2-methoxyethylamino)-2-oxoethyl]piperazine-1-carboxamide
CID 78894352
4-(2-aminoethyl)-N-(2,4-difluorophenyl)piperidine-1-carboxamide
CID 56773384
N-(3-fluorophenyl)-4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide
CID 91903542
4-[2-[[2-(2-fluorophenyl)acetyl]amino]ethyl]-N-(2-methylphenyl)piperidine-1-carboxamide
CID 91913268
N-(2-fluorophenyl)-4-[2-[[2-(4-methylphenoxy)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 91903601
N-(3,5-difluorophenyl)-4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 91903674

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide (CID 91913300) is N-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide is COCCC(=O)NCCC1CCN(C(=O)Nc2cc(F)ccc2F)CC1.
What is the InChIKey of N-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide?
The InChIKey is RNNKAWVARZZKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O3/c1-26-11-7-17(24)21-8-4-13-5-9-23(10-6-13)18(25)22-16-12-14(19)2-3-15(16)20/h2-3,12-13H,4-11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide?
N-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide has a molecular weight of 369.41 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-4-[2-(3-methoxypropanoylamino)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 91913300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).