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

C18H25F2N3O2 — CID 91903683

IUPACN-(3,5-difluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
SMILESCC(C)C(=O)NCCC1CCN(C(=O)Nc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C18H25F2N3O2/c1-12(2)17(24)21-6-3-13-4-7-23(8-5-13)18(25)22-16-10-14(19)9-15(20)11-16/h9-13H,3-8H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySUVOOGAIKAPSJL-UHFFFAOYSA-N
MW353.41 g/mol
LogP3.37
Rot. Bonds5

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

N-(3,5-difluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide (PubChem CID 91903683) has the molecular formula C18H25F2N3O2 and a molecular weight of 353.41 g/mol. Its IUPAC name is N-(3,5-difluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
PubChem CID91903683
Molecular FormulaC18H25F2N3O2
Molecular Weight353.41 g/mol
Exact Mass353.19
IUPAC NameN-(3,5-difluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
SMILESCC(C)C(=O)NCCC1CCN(C(=O)Nc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C18H25F2N3O2/c1-12(2)17(24)21-6-3-13-4-7-23(8-5-13)18(25)22-16-10-14(19)9-15(20)11-16/h9-13H,3-8H2,1-2H3,(H,21,24)(H,22,25)
InChIKeySUVOOGAIKAPSJL-UHFFFAOYSA-N
XLogP3.37
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-difluorophenyl)-4-[2-[(2-methoxyacetyl)amino]ethyl]piperidine-1-carboxamide
CID 91913317
N-(4-methylphenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
CID 91903591
N-(3,5-difluorophenyl)-4-[2-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]piperidine-1-carboxamide
CID 91903674
N-(3,5-difluorophenyl)-4-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]piperidine-1-carboxamide
CID 91903691
4-[2-[(3-fluorobenzoyl)amino]ethyl]-N-(3-fluorophenyl)piperidine-1-carboxamide
CID 91903544
(3S)-N-(3,5-difluorophenyl)-3-(pyridin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 164638725
4-[2-[(2-ethylpyrazole-3-carbonyl)amino]ethyl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 91903526
4-[2-[(2-cyclopentylacetyl)amino]ethyl]-N-(3-fluoro-4-methylphenyl)piperidine-1-carboxamide
CID 91913330
N-[2-[1-[(4-fluorophenyl)carbamoyl]piperidin-4-yl]ethyl]pyridine-2-carboxamide
CID 91913215
N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 103774793
N-(3-fluoro-5-methylphenyl)-3-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 75442945
N-(3-fluorophenyl)-4-[2-[3-(4-methoxyphenyl)propanoylamino]ethyl]piperidine-1-carboxamide
CID 91903542

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide?
The IUPAC name of N-(3,5-difluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide (CID 91903683) is N-(3,5-difluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3,5-difluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(3,5-difluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide is CC(C)C(=O)NCCC1CCN(C(=O)Nc2cc(F)cc(F)c2)CC1.
What is the InChIKey of N-(3,5-difluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide?
The InChIKey is SUVOOGAIKAPSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N3O2/c1-12(2)17(24)21-6-3-13-4-7-23(8-5-13)18(25)22-16-10-14(19)9-15(20)11-16/h9-13H,3-8H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N-(3,5-difluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide?
N-(3,5-difluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide has a molecular weight of 353.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 91903683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).