N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-piperidin-3-ylbutanamide

C23H28FN3O2 — CID 119723826

IUPACN-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1)C1CCCNC1
InChIInChI=1S/C23H28FN3O2/c1-16(18-8-5-11-25-15-18)12-22(28)26-19-9-10-20(24)21(14-19)27-23(29)13-17-6-3-2-4-7-17/h2-4,6-7,9-10,14,16,18,25H,5,8,11-13,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyUQNBYJQZBYEZFJ-UHFFFAOYSA-N
MW397.49 g/mol
LogP3.97
Rot. Bonds7

About N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-piperidin-3-ylbutanamide

N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-piperidin-3-ylbutanamide (PubChem CID 119723826) has the molecular formula C23H28FN3O2 and a molecular weight of 397.49 g/mol. Its IUPAC name is N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-piperidin-3-ylbutanamide
PubChem CID119723826
Molecular FormulaC23H28FN3O2
Molecular Weight397.49 g/mol
Exact Mass397.22
IUPAC NameN-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1)C1CCCNC1
InChIInChI=1S/C23H28FN3O2/c1-16(18-8-5-11-25-15-18)12-22(28)26-19-9-10-20(24)21(14-19)27-23(29)13-17-6-3-2-4-7-17/h2-4,6-7,9-10,14,16,18,25H,5,8,11-13,15H2,1H3,(H,26,28)(H,27,29)
InChIKeyUQNBYJQZBYEZFJ-UHFFFAOYSA-N
XLogP3.97
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.49
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705041
N-[4-fluoro-3-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119702961
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119709850
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119289646
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
2-fluoro-N,N-dimethyl-5-(3-piperidin-3-ylbutanoylamino)benzamide;hydrochloride
CID 119798145
N-(2,4-difluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119673275
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(4-cyclobutyloxy-3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119811125
N-(3-fluoro-4-pyridinyl)-3-piperidin-3-ylbutanamide
CID 107594934
N-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119749180
N-[4-(carbamoylamino)-3-methoxyphenyl]-3-piperidin-3-ylbutanamide
CID 119779708

Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-piperidin-3-ylbutanamide (CID 119723826) is N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-piperidin-3-ylbutanamide is CC(CC(=O)Nc1ccc(F)c(NC(=O)Cc2ccccc2)c1)C1CCCNC1.
What is the InChIKey of N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-piperidin-3-ylbutanamide?
The InChIKey is UQNBYJQZBYEZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O2/c1-16(18-8-5-11-25-15-18)12-22(28)26-19-9-10-20(24)21(14-19)27-23(29)13-17-6-3-2-4-7-17/h2-4,6-7,9-10,14,16,18,25H,5,8,11-13,15H2,1H3,(H,26,28)(H,27,29).
What are the key properties of N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-piperidin-3-ylbutanamide?
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-piperidin-3-ylbutanamide has a molecular weight of 397.49 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119723826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).