N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide

C23H27ClN2O2 — CID 16756402

IUPACN-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCC(=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C23H27ClN2O2/c1-17(27)25-22-5-2-4-20(16-22)18-11-14-26(15-12-18)13-3-6-23(28)19-7-9-21(24)10-8-19/h2,4-5,7-10,16,18H,3,6,11-15H2,1H3,(H,25,27)
InChIKeyCVIMVOKGOJOOSP-UHFFFAOYSA-N
MW398.93 g/mol
LogP5.14
Rot. Bonds7

About N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide

N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide (PubChem CID 16756402) has the molecular formula C23H27ClN2O2 and a molecular weight of 398.93 g/mol. Its IUPAC name is N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide
PubChem CID16756402
Molecular FormulaC23H27ClN2O2
Molecular Weight398.93 g/mol
Exact Mass398.18
IUPAC NameN-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C2CCN(CCCC(=O)c3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C23H27ClN2O2/c1-17(27)25-22-5-2-4-20(16-22)18-11-14-26(15-12-18)13-3-6-23(28)19-7-9-21(24)10-8-19/h2,4-5,7-10,16,18H,3,6,11-15H2,1H3,(H,25,27)
InChIKeyCVIMVOKGOJOOSP-UHFFFAOYSA-N
XLogP5.14
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.93
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[3-[1-(5-oxo-5-phenylpentyl)piperidin-4-yl]phenyl]propanamide
CID 22049393
N-[3-[1-[5-(4-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049378
N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]propanamide
CID 22049474
2-(3-methoxyphenyl)-N-[3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]phenyl]acetamide
CID 22049519
N-[3-[1-[3-[4-[(4-chlorophenyl)methyl]-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 71726848
N-[3-[1-[3-[[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]amino]propyl]piperidin-4-yl]phenyl]acetamide
CID 11591644
N-[3-[1-[3-[4-(4-chlorophenyl)sulfanyl-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 71726980
1-(3-acetyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-[4-(4-chlorophenyl)piperidin-1-yl]butan-1-one
CID 21108056
N-[3-[1-[3-[4-(4-chlorophenyl)sulfonyl-1-oxophthalazin-2-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 71727102
N-[3-[1-[3-[6-chloro-2-(4-fluorophenyl)benzimidazol-1-yl]propyl]piperidin-4-yl]phenyl]acetamide
CID 25116781
1-[5-(4-chlorophenyl)pentyl]-4-phenylpiperidine;1-phenyl-5-(4-phenylpiperidin-1-yl)pentan-1-one
CID 160861580
N-[3-[1-[5-(2-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide
CID 22048702

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide (CID 16756402) is N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(C2CCN(CCCC(=O)c3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide?
The InChIKey is CVIMVOKGOJOOSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O2/c1-17(27)25-22-5-2-4-20(16-22)18-11-14-26(15-12-18)13-3-6-23(28)19-7-9-21(24)10-8-19/h2,4-5,7-10,16,18H,3,6,11-15H2,1H3,(H,25,27).
What are the key properties of N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide?
N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide has a molecular weight of 398.93 g/mol, XLogP of 5.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide is sourced from PubChem (CID 16756402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).