N-[1-[3-(azetidin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-fluorophenyl)propanamide

C26H34FN3O — CID 91262945

IUPACN-[1-[3-(azetidin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-fluorophenyl)propanamide
SMILESCC(C(=O)NC1CCN(CCC(c2ccccc2)N2CCC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C26H34FN3O/c1-20(21-8-10-23(27)11-9-21)26(31)28-24-12-17-29(18-13-24)19-14-25(30-15-5-16-30)22-6-3-2-4-7-22/h2-4,6-11,20,24-25H,5,12-19H2,1H3,(H,28,31)
InChIKeyZFMSIMOPFURNIW-UHFFFAOYSA-N
MW423.58 g/mol
LogP4.35
Rot. Bonds8

About N-[1-[3-(azetidin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-fluorophenyl)propanamide

N-[1-[3-(azetidin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-fluorophenyl)propanamide (PubChem CID 91262945) has the molecular formula C26H34FN3O and a molecular weight of 423.58 g/mol. Its IUPAC name is N-[1-[3-(azetidin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-fluorophenyl)propanamide.

Molecular Properties

Compound NameN-[1-[3-(azetidin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-fluorophenyl)propanamide
PubChem CID91262945
Molecular FormulaC26H34FN3O
Molecular Weight423.58 g/mol
Exact Mass423.27
IUPAC NameN-[1-[3-(azetidin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-fluorophenyl)propanamide
SMILESCC(C(=O)NC1CCN(CCC(c2ccccc2)N2CCC2)CC1)c1ccc(F)cc1
InChIInChI=1S/C26H34FN3O/c1-20(21-8-10-23(27)11-9-21)26(31)28-24-12-17-29(18-13-24)19-14-25(30-15-5-16-30)22-6-3-2-4-7-22/h2-4,6-11,20,24-25H,5,12-19H2,1H3,(H,28,31)
InChIKeyZFMSIMOPFURNIW-UHFFFAOYSA-N
XLogP4.35
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-(Phenylmethyl)-4-piperidinyl)benzamide
CID 40598
N,N-diethyl-4-((3-fluorophenyl)(piperidin-4-ylidene)methyl)benzamide
CID 10570940
N-(1-benzylpiperidin-4-yl)-2-methylbenzamide
CID 702493
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-ylacetamide
CID 6918854
(2R)-2-(2,4-difluorophenyl)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-isobutyl-2,5-dioxopiperazin-1-yl]-N,N-dimethylethanamide
CID 11465834
3-[[3-(dimethylamino)propyl-methylamino]methyl]-N-[[4-fluoro-3-[3-[[(3S)-3-methylpiperazin-1-yl]methyl]phenyl]phenyl]methyl]benzamide
CID 11535362
(3R,6R)-1-[(1R)-2-(azetidin-1-yl)-1-(2,4-difluorophenyl)-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 11569527
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]acetamide
CID 11590596
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-methylacetamide
CID 11662784
N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2,2-diphenylacetamide
CID 5082502
N-[(4-fluorophenyl)methyl]-N-[1-(2-phenylethyl)piperidin-4-yl]butanamide
CID 164851917
2-phenyl-N-(1-phenylethyl)acetamide
CID 2826774

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(azetidin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-fluorophenyl)propanamide?
The IUPAC name of N-[1-[3-(azetidin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-fluorophenyl)propanamide (CID 91262945) is N-[1-[3-(azetidin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-fluorophenyl)propanamide.
What is the SMILES notation for N-[1-[3-(azetidin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-fluorophenyl)propanamide?
The canonical SMILES for N-[1-[3-(azetidin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-fluorophenyl)propanamide is CC(C(=O)NC1CCN(CCC(c2ccccc2)N2CCC2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-[3-(azetidin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-fluorophenyl)propanamide?
The InChIKey is ZFMSIMOPFURNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FN3O/c1-20(21-8-10-23(27)11-9-21)26(31)28-24-12-17-29(18-13-24)19-14-25(30-15-5-16-30)22-6-3-2-4-7-22/h2-4,6-11,20,24-25H,5,12-19H2,1H3,(H,28,31).
What are the key properties of N-[1-[3-(azetidin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-fluorophenyl)propanamide?
N-[1-[3-(azetidin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-fluorophenyl)propanamide has a molecular weight of 423.58 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(azetidin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-fluorophenyl)propanamide is sourced from PubChem (CID 91262945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).