N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]propanamide

C30H34N2O3 — CID 22049474

IUPACN-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C2CCN(CCCC(=O)c3ccc(Oc4ccccc4)cc3)CC2)c1
InChIInChI=1S/C30H34N2O3/c1-2-30(34)31-26-9-6-8-25(22-26)23-17-20-32(21-18-23)19-7-12-29(33)24-13-15-28(16-14-24)35-27-10-4-3-5-11-27/h3-6,8-11,13-16,22-23H,2,7,12,17-21H2,1H3,(H,31,34)
InChIKeyDXFPKHJIHUAMGZ-UHFFFAOYSA-N
MW470.61 g/mol
LogP6.67
Rot. Bonds10

About N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]propanamide

N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]propanamide (PubChem CID 22049474) has the molecular formula C30H34N2O3 and a molecular weight of 470.61 g/mol. Its IUPAC name is N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]propanamide
PubChem CID22049474
Molecular FormulaC30H34N2O3
Molecular Weight470.61 g/mol
Exact Mass470.26
IUPAC NameN-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(C2CCN(CCCC(=O)c3ccc(Oc4ccccc4)cc3)CC2)c1
InChIInChI=1S/C30H34N2O3/c1-2-30(34)31-26-9-6-8-25(22-26)23-17-20-32(21-18-23)19-7-12-29(33)24-13-15-28(16-14-24)35-27-10-4-3-5-11-27/h3-6,8-11,13-16,22-23H,2,7,12,17-21H2,1H3,(H,31,34)
InChIKeyDXFPKHJIHUAMGZ-UHFFFAOYSA-N
XLogP6.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.61
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-N-[3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]phenyl]acetamide
CID 22049519
4-[4-(3-aminophenyl)piperidin-1-yl]-1-(4-phenoxyphenyl)butan-1-one
CID 22049070
N-[3-[1-[4-(4-chlorophenyl)-4-oxobutyl]piperidin-4-yl]phenyl]acetamide
CID 16756402
2-methyl-N-[3-[1-(5-oxo-5-phenylpentyl)piperidin-4-yl]phenyl]propanamide
CID 22049393
N-[3-[1-[6-[(2,2-diphenylacetyl)amino]hexyl]piperidin-4-yl]phenyl]propanamide
CID 142203741
N-[3-[1-[5-(4-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22049378
N-[3-[1-[4-(2,4-dimethoxyphenyl)-4-oxobutyl]piperidin-4-yl]phenyl]-2-methylpropanamide
CID 22048684
4-[3-[5-[4-(3-methoxyphenyl)piperidin-1-yl]pentanoylamino]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 22911542
2-methyl-N-[3-[1-[3-[(4-phenoxyphenyl)carbamoylamino]-3-phenylpropyl]piperidin-4-yl]phenyl]propanamide
CID 22049038
4-[4-(3-methoxyphenyl)piperidin-1-yl]butanoic acid
CID 119135089
N-[3-[1-[5-(2-fluorophenyl)-5-oxopentyl]piperidin-4-yl]phenyl]cyclopropanecarboxamide
CID 22048702
5-(4-phenoxyphenyl)-N-(3-piperidin-4-ylphenyl)pentanamide
CID 11475881

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]propanamide?
The IUPAC name of N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]propanamide (CID 22049474) is N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]propanamide.
What is the SMILES notation for N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]propanamide?
The canonical SMILES for N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]propanamide is CCC(=O)Nc1cccc(C2CCN(CCCC(=O)c3ccc(Oc4ccccc4)cc3)CC2)c1.
What is the InChIKey of N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]propanamide?
The InChIKey is DXFPKHJIHUAMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O3/c1-2-30(34)31-26-9-6-8-25(22-26)23-17-20-32(21-18-23)19-7-12-29(33)24-13-15-28(16-14-24)35-27-10-4-3-5-11-27/h3-6,8-11,13-16,22-23H,2,7,12,17-21H2,1H3,(H,31,34).
What are the key properties of N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]propanamide?
N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]propanamide has a molecular weight of 470.61 g/mol, XLogP of 6.67, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[4-oxo-4-(4-phenoxyphenyl)butyl]piperidin-4-yl]phenyl]propanamide is sourced from PubChem (CID 22049474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).