N-[2-fluoro-5-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide

C22H32FN3O2 — CID 119711633

IUPACN-[2-fluoro-5-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide
SMILESCC(CC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)C1CCNCC1
InChIInChI=1S/C22H32FN3O2/c1-15(16-9-11-24-12-10-16)13-21(27)25-18-7-8-19(23)20(14-18)26-22(28)17-5-3-2-4-6-17/h7-8,14-17,24H,2-6,9-13H2,1H3,(H,25,27)(H,26,28)
InChIKeyQUTGYXNTAYBDQU-UHFFFAOYSA-N
MW389.52 g/mol
LogP4.31
Rot. Bonds6

About N-[2-fluoro-5-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide

N-[2-fluoro-5-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide (PubChem CID 119711633) has the molecular formula C22H32FN3O2 and a molecular weight of 389.52 g/mol. Its IUPAC name is N-[2-fluoro-5-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide
PubChem CID119711633
Molecular FormulaC22H32FN3O2
Molecular Weight389.52 g/mol
Exact Mass389.25
IUPAC NameN-[2-fluoro-5-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide
SMILESCC(CC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)C1CCNCC1
InChIInChI=1S/C22H32FN3O2/c1-15(16-9-11-24-12-10-16)13-21(27)25-18-7-8-19(23)20(14-18)26-22(28)17-5-3-2-4-6-17/h7-8,14-17,24H,2-6,9-13H2,1H3,(H,25,27)(H,26,28)
InChIKeyQUTGYXNTAYBDQU-UHFFFAOYSA-N
XLogP4.31
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide
CID 119814649
N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide;hydrochloride
CID 119282876
N-(5-acetamido-2-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119279496
N-[5-(3-aminopropanoylamino)-2-fluorophenyl]cyclohexanecarboxamide;hydrochloride
CID 119282872
N-(5-acetamido-2-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119705041
N-(3-acetamido-4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119278283
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide
CID 119673990
N-(2-acetamido-4,5-difluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119757485
N-[2-fluoro-5-[(2-hydroxy-2-methylpropanoyl)amino]phenyl]cyclohexanecarboxamide
CID 100629802
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673989
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-piperidin-3-ylbutanamide
CID 119723826
N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119671037

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide?
The IUPAC name of N-[2-fluoro-5-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide (CID 119711633) is N-[2-fluoro-5-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[2-fluoro-5-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide?
The canonical SMILES for N-[2-fluoro-5-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide is CC(CC(=O)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1)C1CCNCC1.
What is the InChIKey of N-[2-fluoro-5-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide?
The InChIKey is QUTGYXNTAYBDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN3O2/c1-15(16-9-11-24-12-10-16)13-21(27)25-18-7-8-19(23)20(14-18)26-22(28)17-5-3-2-4-6-17/h7-8,14-17,24H,2-6,9-13H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-fluoro-5-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide?
N-[2-fluoro-5-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide has a molecular weight of 389.52 g/mol, XLogP of 4.31, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 119711633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).