N-(4-fluorophenyl)-2-[4-(3-piperidin-3-ylbutanoyl)piperazin-1-yl]acetamide

C21H31FN4O2 — CID 119833319

IUPACN-(4-fluorophenyl)-2-[4-(3-piperidin-3-ylbutanoyl)piperazin-1-yl]acetamide
SMILESCC(CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)C1CCCNC1
InChIInChI=1S/C21H31FN4O2/c1-16(17-3-2-8-23-14-17)13-21(28)26-11-9-25(10-12-26)15-20(27)24-19-6-4-18(22)5-7-19/h4-7,16-17,23H,2-3,8-15H2,1H3,(H,24,27)
InChIKeyRGNASEOXFIYXCD-UHFFFAOYSA-N
MW390.50 g/mol
LogP1.93
Rot. Bonds6

About N-(4-fluorophenyl)-2-[4-(3-piperidin-3-ylbutanoyl)piperazin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-(3-piperidin-3-ylbutanoyl)piperazin-1-yl]acetamide (PubChem CID 119833319) has the molecular formula C21H31FN4O2 and a molecular weight of 390.50 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(3-piperidin-3-ylbutanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(3-piperidin-3-ylbutanoyl)piperazin-1-yl]acetamide
PubChem CID119833319
Molecular FormulaC21H31FN4O2
Molecular Weight390.50 g/mol
Exact Mass390.24
IUPAC NameN-(4-fluorophenyl)-2-[4-(3-piperidin-3-ylbutanoyl)piperazin-1-yl]acetamide
SMILESCC(CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)C1CCCNC1
InChIInChI=1S/C21H31FN4O2/c1-16(17-3-2-8-23-14-17)13-21(28)26-11-9-25(10-12-26)15-20(27)24-19-6-4-18(22)5-7-19/h4-7,16-17,23H,2-3,8-15H2,1H3,(H,24,27)
InChIKeyRGNASEOXFIYXCD-UHFFFAOYSA-N
XLogP1.93
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.50
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-3-[1-(3-piperidin-3-ylbutanoyl)piperidin-4-yl]urea
CID 119734445
N-[4-(3-oxo-3-pyrrolidin-1-ylpropyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119749370
N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride
CID 119761516
1-[4-(2,5-difluorophenyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119887880
N-[4-(2-oxoimidazolidin-1-yl)phenyl]-3-piperidin-3-ylbutanamide
CID 119698584
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119831323
N-[4-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119712378
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119855915
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-(4-fluorophenyl)-2-[4-(2-pyrrolidin-2-ylacetyl)piperazin-1-yl]acetamide;dihydrochloride
CID 119833345
1-(4-benzyl-1,4-diazepan-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119399409

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(3-piperidin-3-ylbutanoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(3-piperidin-3-ylbutanoyl)piperazin-1-yl]acetamide (CID 119833319) is N-(4-fluorophenyl)-2-[4-(3-piperidin-3-ylbutanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(3-piperidin-3-ylbutanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(3-piperidin-3-ylbutanoyl)piperazin-1-yl]acetamide is CC(CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)C1CCCNC1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(3-piperidin-3-ylbutanoyl)piperazin-1-yl]acetamide?
The InChIKey is RGNASEOXFIYXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31FN4O2/c1-16(17-3-2-8-23-14-17)13-21(28)26-11-9-25(10-12-26)15-20(27)24-19-6-4-18(22)5-7-19/h4-7,16-17,23H,2-3,8-15H2,1H3,(H,24,27).
What are the key properties of N-(4-fluorophenyl)-2-[4-(3-piperidin-3-ylbutanoyl)piperazin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-(3-piperidin-3-ylbutanoyl)piperazin-1-yl]acetamide has a molecular weight of 390.50 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(3-piperidin-3-ylbutanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 119833319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).