N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(2-methylbutanoyl)piperidine-3-carboxamide

C23H34FN3O2 — CID 86965317

IUPACN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(2-methylbutanoyl)piperidine-3-carboxamide
SMILESCCC(C)C(=O)N1CCCC(C(=O)NC2CCCN(c3cc(C)ccc3F)C2)C1
InChIInChI=1S/C23H34FN3O2/c1-4-17(3)23(29)27-12-5-7-18(14-27)22(28)25-19-8-6-11-26(15-19)21-13-16(2)9-10-20(21)24/h9-10,13,17-19H,4-8,11-12,14-15H2,1-3H3,(H,25,28)
InChIKeyYXLSGWQUPWHGKB-UHFFFAOYSA-N
MW403.54 g/mol
LogP3.50
Rot. Bonds5

About N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(2-methylbutanoyl)piperidine-3-carboxamide

N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(2-methylbutanoyl)piperidine-3-carboxamide (PubChem CID 86965317) has the molecular formula C23H34FN3O2 and a molecular weight of 403.54 g/mol. Its IUPAC name is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(2-methylbutanoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(2-methylbutanoyl)piperidine-3-carboxamide
PubChem CID86965317
Molecular FormulaC23H34FN3O2
Molecular Weight403.54 g/mol
Exact Mass403.26
IUPAC NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(2-methylbutanoyl)piperidine-3-carboxamide
SMILESCCC(C)C(=O)N1CCCC(C(=O)NC2CCCN(c3cc(C)ccc3F)C2)C1
InChIInChI=1S/C23H34FN3O2/c1-4-17(3)23(29)27-12-5-7-18(14-27)22(28)25-19-8-6-11-26(15-19)21-13-16(2)9-10-20(21)24/h9-10,13,17-19H,4-8,11-12,14-15H2,1-3H3,(H,25,28)
InChIKeyYXLSGWQUPWHGKB-UHFFFAOYSA-N
XLogP3.50
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.54
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111444175
1-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-4-N-propylpiperidine-1,4-dicarboxamide
CID 86967402
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 86965307
3-[(3S)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-[(3R)-3-hydroxybutyl]-1-methylurea
CID 97069908
cis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678615
1-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-(2-hydroxyethyl)urea
CID 111424850
2,5-difluoro-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]benzamide
CID 86965224
(2S)-2-(benzenesulfonamido)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide
CID 86966235
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 86965219
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111428371
N-[(3S)-1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-pyrazol-1-ylacetamide
CID 95629388
N-(4-aminocyclohexyl)-1-(2-methylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119475324

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(2-methylbutanoyl)piperidine-3-carboxamide?
The IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(2-methylbutanoyl)piperidine-3-carboxamide (CID 86965317) is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(2-methylbutanoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(2-methylbutanoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(2-methylbutanoyl)piperidine-3-carboxamide is CCC(C)C(=O)N1CCCC(C(=O)NC2CCCN(c3cc(C)ccc3F)C2)C1.
What is the InChIKey of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(2-methylbutanoyl)piperidine-3-carboxamide?
The InChIKey is YXLSGWQUPWHGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34FN3O2/c1-4-17(3)23(29)27-12-5-7-18(14-27)22(28)25-19-8-6-11-26(15-19)21-13-16(2)9-10-20(21)24/h9-10,13,17-19H,4-8,11-12,14-15H2,1-3H3,(H,25,28).
What are the key properties of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(2-methylbutanoyl)piperidine-3-carboxamide?
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(2-methylbutanoyl)piperidine-3-carboxamide has a molecular weight of 403.54 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-1-(2-methylbutanoyl)piperidine-3-carboxamide is sourced from PubChem (CID 86965317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).