N-(2-phenylethyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide

C20H33N3O+2 — CID 7437027

IUPACN-(2-phenylethyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide
SMILESO=C(C[NH+]1CCC([NH+]2CCCCC2)CC1)NCCc1ccccc1
InChIInChI=1S/C20H31N3O/c24-20(21-12-9-18-7-3-1-4-8-18)17-22-15-10-19(11-16-22)23-13-5-2-6-14-23/h1,3-4,7-8,19H,2,5-6,9-17H2,(H,21,24)/p+2
InChIKeyVUWLJFYJIXWNIG-UHFFFAOYSA-P
MW331.50 g/mol
LogP-0.54
Rot. Bonds6

About N-(2-phenylethyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide

N-(2-phenylethyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide (PubChem CID 7437027) has the molecular formula C20H33N3O+2 and a molecular weight of 331.50 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide
PubChem CID7437027
Molecular FormulaC20H33N3O+2
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC NameN-(2-phenylethyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide
SMILESO=C(C[NH+]1CCC([NH+]2CCCCC2)CC1)NCCc1ccccc1
InChIInChI=1S/C20H31N3O/c24-20(21-12-9-18-7-3-1-4-8-18)17-22-15-10-19(11-16-22)23-13-5-2-6-14-23/h1,3-4,7-8,19H,2,5-6,9-17H2,(H,21,24)/p+2
InChIKeyVUWLJFYJIXWNIG-UHFFFAOYSA-P
XLogP-0.54
TPSA37.98 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1,3-benzodioxol-5-yl)-1-[2-oxo-2-(2-phenylethylamino)ethyl]piperidin-1-ium-4-carboxamide
CID 8995676
2-[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-phenylethyl)acetamide
CID 6988700
2-[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-phenylethyl)acetamide
CID 6988702
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-phenylethyl)acetamide
CID 9435923
1-[2-[2-(3-chlorophenyl)ethylamino]-2-oxoethyl]-N-phenylpiperidin-1-ium-4-carboxamide
CID 9134721
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-phenylethyl)acetamide
CID 8591746
(3R)-1-[2-oxo-2-(3-phenylpropylamino)ethyl]piperidin-1-ium-3-carboxamide
CID 9305773
N-(2-phenylethyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide
CID 9317430
ethyl 1-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8931624
ethyl 1-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8931583
1-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperidin-1-ium-4-carboxamide
CID 8557188
(2S)-1-[2-oxo-2-(2-phenylethylamino)ethyl]pyrrolidine-2-carboxylic acid
CID 75384682

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide?
The IUPAC name of N-(2-phenylethyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide (CID 7437027) is N-(2-phenylethyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(2-phenylethyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(2-phenylethyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide is O=C(C[NH+]1CCC([NH+]2CCCCC2)CC1)NCCc1ccccc1.
What is the InChIKey of N-(2-phenylethyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide?
The InChIKey is VUWLJFYJIXWNIG-UHFFFAOYSA-P. The full InChI is InChI=1S/C20H31N3O/c24-20(21-12-9-18-7-3-1-4-8-18)17-22-15-10-19(11-16-22)23-13-5-2-6-14-23/h1,3-4,7-8,19H,2,5-6,9-17H2,(H,21,24)/p+2.
What are the key properties of N-(2-phenylethyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide?
N-(2-phenylethyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide has a molecular weight of 331.50 g/mol, XLogP of -0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide is sourced from PubChem (CID 7437027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).