N-[1-(3-chloro-3-phenylpropyl)piperidin-4-yl]-2-phenyl-N-propylsulfonylacetamide

C25H33ClN2O3S — CID 18442942

IUPACN-[1-(3-chloro-3-phenylpropyl)piperidin-4-yl]-2-phenyl-N-propylsulfonylacetamide
SMILESCCCS(=O)(=O)N(C(=O)Cc1ccccc1)C1CCN(CCC(Cl)c2ccccc2)CC1
InChIInChI=1S/C25H33ClN2O3S/c1-2-19-32(30,31)28(25(29)20-21-9-5-3-6-10-21)23-13-16-27(17-14-23)18-15-24(26)22-11-7-4-8-12-22/h3-12,23-24H,2,13-20H2,1H3
InChIKeyGAEJKNXMUFKCBZ-UHFFFAOYSA-N
MW477.07 g/mol
LogP4.63
Rot. Bonds10

About N-[1-(3-chloro-3-phenylpropyl)piperidin-4-yl]-2-phenyl-N-propylsulfonylacetamide

N-[1-(3-chloro-3-phenylpropyl)piperidin-4-yl]-2-phenyl-N-propylsulfonylacetamide (PubChem CID 18442942) has the molecular formula C25H33ClN2O3S and a molecular weight of 477.07 g/mol. Its IUPAC name is N-[1-(3-chloro-3-phenylpropyl)piperidin-4-yl]-2-phenyl-N-propylsulfonylacetamide.

Molecular Properties

Compound NameN-[1-(3-chloro-3-phenylpropyl)piperidin-4-yl]-2-phenyl-N-propylsulfonylacetamide
PubChem CID18442942
Molecular FormulaC25H33ClN2O3S
Molecular Weight477.07 g/mol
Exact Mass476.19
IUPAC NameN-[1-(3-chloro-3-phenylpropyl)piperidin-4-yl]-2-phenyl-N-propylsulfonylacetamide
SMILESCCCS(=O)(=O)N(C(=O)Cc1ccccc1)C1CCN(CCC(Cl)c2ccccc2)CC1
InChIInChI=1S/C25H33ClN2O3S/c1-2-19-32(30,31)28(25(29)20-21-9-5-3-6-10-21)23-13-16-27(17-14-23)18-15-24(26)22-11-7-4-8-12-22/h3-12,23-24H,2,13-20H2,1H3
InChIKeyGAEJKNXMUFKCBZ-UHFFFAOYSA-N
XLogP4.63
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.07
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(3R)-3-chloro-3-phenylpropyl]piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide
CID 58822451
1-benzyl-4-(3-chloro-3-phenylpropyl)piperazine;hydrochloride
CID 23723096
1-(3-chloro-3-phenylpropyl)-4-[2-(4-methylsulfonylphenyl)sulfonylethyl]piperidine
CID 58694767
N-ethyl-N-[1-[3-(4-ethylsulfonylpiperazin-1-yl)-3-phenylpropyl]piperidin-4-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 57403931
N-ethyl-2-(4-methylsulfonylphenyl)-N-[1-[(3R)-3-phenyl-3-piperidin-4-ylpropyl]piperidin-4-yl]acetamide
CID 58919605
N-ethyl-2-(4-methylsulfonylphenyl)-N-[1-(3-phenyl-3-piperidin-4-ylpropyl)piperidin-4-yl]acetamide
CID 18442950
N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclopropanecarboxamide
CID 10142994
N-[1-[3-(4-benzoylpiperazin-1-yl)-3-phenylpropyl]piperidin-4-yl]-N-ethyl-2-(4-methylsulfonylphenyl)acetamide
CID 3011718
N-[3-[4-[ethyl-[2-(4-methylsulfonylphenyl)acetyl]amino]piperidin-1-yl]-1-phenylpropyl]cyclopentanecarboxamide
CID 10209551
N-[2-(3-hydroxypyrrolidin-1-yl)-1-phenylethyl]-N-methyl-2-[4-[(propylsulfonylamino)methyl]phenyl]acetamide
CID 22253485
1-(3-chloro-3-phenylpropyl)piperidine;hydrochloride
CID 67656037
3-[bis(2-phenylacetyl)amino]-N-cyclopropyl-N-(1-propylpiperidin-4-yl)benzamide
CID 20850269

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-3-phenylpropyl)piperidin-4-yl]-2-phenyl-N-propylsulfonylacetamide?
The IUPAC name of N-[1-(3-chloro-3-phenylpropyl)piperidin-4-yl]-2-phenyl-N-propylsulfonylacetamide (CID 18442942) is N-[1-(3-chloro-3-phenylpropyl)piperidin-4-yl]-2-phenyl-N-propylsulfonylacetamide.
What is the SMILES notation for N-[1-(3-chloro-3-phenylpropyl)piperidin-4-yl]-2-phenyl-N-propylsulfonylacetamide?
The canonical SMILES for N-[1-(3-chloro-3-phenylpropyl)piperidin-4-yl]-2-phenyl-N-propylsulfonylacetamide is CCCS(=O)(=O)N(C(=O)Cc1ccccc1)C1CCN(CCC(Cl)c2ccccc2)CC1.
What is the InChIKey of N-[1-(3-chloro-3-phenylpropyl)piperidin-4-yl]-2-phenyl-N-propylsulfonylacetamide?
The InChIKey is GAEJKNXMUFKCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN2O3S/c1-2-19-32(30,31)28(25(29)20-21-9-5-3-6-10-21)23-13-16-27(17-14-23)18-15-24(26)22-11-7-4-8-12-22/h3-12,23-24H,2,13-20H2,1H3.
What are the key properties of N-[1-(3-chloro-3-phenylpropyl)piperidin-4-yl]-2-phenyl-N-propylsulfonylacetamide?
N-[1-(3-chloro-3-phenylpropyl)piperidin-4-yl]-2-phenyl-N-propylsulfonylacetamide has a molecular weight of 477.07 g/mol, XLogP of 4.63, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-3-phenylpropyl)piperidin-4-yl]-2-phenyl-N-propylsulfonylacetamide is sourced from PubChem (CID 18442942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).