N-[2-fluoro-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-3-methylbutanamide

C18H26FN3O2 — CID 119488057

IUPACN-[2-fluoro-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-3-methylbutanamide
SMILESCNC1CCCN(C(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)C1
InChIInChI=1S/C18H26FN3O2/c1-12(2)9-17(23)21-16-7-6-13(10-15(16)19)18(24)22-8-4-5-14(11-22)20-3/h6-7,10,12,14,20H,4-5,8-9,11H2,1-3H3,(H,21,23)
InChIKeyCBBRHTVHDXXONF-UHFFFAOYSA-N
MW335.42 g/mol
LogP2.63
Rot. Bonds5

About N-[2-fluoro-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-3-methylbutanamide

N-[2-fluoro-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-3-methylbutanamide (PubChem CID 119488057) has the molecular formula C18H26FN3O2 and a molecular weight of 335.42 g/mol. Its IUPAC name is N-[2-fluoro-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-3-methylbutanamide
PubChem CID119488057
Molecular FormulaC18H26FN3O2
Molecular Weight335.42 g/mol
Exact Mass335.20
IUPAC NameN-[2-fluoro-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-3-methylbutanamide
SMILESCNC1CCCN(C(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)C1
InChIInChI=1S/C18H26FN3O2/c1-12(2)9-17(23)21-16-7-6-13(10-15(16)19)18(24)22-8-4-5-14(11-22)20-3/h6-7,10,12,14,20H,4-5,8-9,11H2,1-3H3,(H,21,23)
InChIKeyCBBRHTVHDXXONF-UHFFFAOYSA-N
XLogP2.63
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[2-methyl-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]butanamide;hydrochloride
CID 119493105
N-[4-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2-fluorophenyl]-3-methylbutanamide;hydrochloride
CID 119483613
N-[4-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole-5-carbonyl]-2-fluorophenyl]-3-methylbutanamide;hydrochloride
CID 120655767
(3R,4R)-4-cyclopropyl-1-[3-fluoro-4-(3-methylbutanoylamino)benzoyl]pyrrolidine-3-carboxylic acid
CID 120978850
(3-fluoro-4-morpholin-4-ylphenyl)-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124587947
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
N-[2-fluoro-4-[(2R)-2-(4-methoxybenzoyl)pyrrolidine-1-carbonyl]phenyl]-3-methylbutanamide
CID 97079437
(4-fluorophenyl)-[(3S)-3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 172646152
2-fluoro-N-methyl-5-[3-(methylamino)piperidine-1-carbonyl]benzenesulfonamide
CID 154750779
[4-fluoro-3-(trifluoromethyl)phenyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119492576
3-fluoro-4-(3-methylbutanoylamino)-N-pyrrolidin-3-ylbenzamide
CID 119449903
N-[1-(3,4-difluorobenzoyl)piperidin-3-yl]acetamide
CID 47250997

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-3-methylbutanamide?
The IUPAC name of N-[2-fluoro-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-3-methylbutanamide (CID 119488057) is N-[2-fluoro-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-fluoro-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-3-methylbutanamide?
The canonical SMILES for N-[2-fluoro-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-3-methylbutanamide is CNC1CCCN(C(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)C1.
What is the InChIKey of N-[2-fluoro-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-3-methylbutanamide?
The InChIKey is CBBRHTVHDXXONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O2/c1-12(2)9-17(23)21-16-7-6-13(10-15(16)19)18(24)22-8-4-5-14(11-22)20-3/h6-7,10,12,14,20H,4-5,8-9,11H2,1-3H3,(H,21,23).
What are the key properties of N-[2-fluoro-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-3-methylbutanamide?
N-[2-fluoro-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-3-methylbutanamide has a molecular weight of 335.42 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-[3-(methylamino)piperidine-1-carbonyl]phenyl]-3-methylbutanamide is sourced from PubChem (CID 119488057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).