2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide

C21H27FN4O — CID 18735085

IUPAC2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide
SMILESNC1CCN(CC(=O)NCC(Cc2cccnc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H27FN4O/c22-19-5-3-17(4-6-19)18(12-16-2-1-9-24-13-16)14-25-21(27)15-26-10-7-20(23)8-11-26/h1-6,9,13,18,20H,7-8,10-12,14-15,23H2,(H,25,27)
InChIKeyXSQNQKIFYLCTKI-UHFFFAOYSA-N
MW370.47 g/mol
LogP2.09
Rot. Bonds7

About 2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide

2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide (PubChem CID 18735085) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide.

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide
PubChem CID18735085
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC Name2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide
SMILESNC1CCN(CC(=O)NCC(Cc2cccnc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H27FN4O/c22-19-5-3-17(4-6-19)18(12-16-2-1-9-24-13-16)14-25-21(27)15-26-10-7-20(23)8-11-26/h1-6,9,13,18,20H,7-8,10-12,14-15,23H2,(H,25,27)
InChIKeyXSQNQKIFYLCTKI-UHFFFAOYSA-N
XLogP2.09
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-[4-(phenylcarbamoylamino)piperidin-1-yl]-N-(2-phenyl-3-pyridin-3-ylpropyl)acetamide;prop-1-ene
CID 142042722
N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]propanamide
CID 110361050
ethyl N-[2-(4-methylphenyl)-3-pyridin-3-ylpropyl]carbamate
CID 110361056
2-(4-aminopiperidin-1-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)acetamide
CID 103812158
2-(4-aminopiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 79333901
2-(4-fluorophenyl)-1-(4-methylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110296415
2-(4-fluorophenyl)-1-morpholin-4-yl-3-pyridin-3-ylpropan-1-one
CID 110296410
2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 136524740
2-[(2S,4R)-2-(4-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-N-(pyridin-3-ylmethyl)acetamide
CID 100662667
2-(4-aminopiperidin-1-yl)-N-[(2R)-2-hydroxypropyl]acetamide
CID 107220866
2-(4-aminopiperidin-1-yl)-N-(2,2-dicyclopropylethyl)acetamide
CID 79328582
N-[2-(2-methylphenyl)-3-pyridin-3-ylpropyl]propanamide
CID 110361067

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide (CID 18735085) is 2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide.
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide is NC1CCN(CC(=O)NCC(Cc2cccnc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide?
The InChIKey is XSQNQKIFYLCTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c22-19-5-3-17(4-6-19)18(12-16-2-1-9-24-13-16)14-25-21(27)15-26-10-7-20(23)8-11-26/h1-6,9,13,18,20H,7-8,10-12,14-15,23H2,(H,25,27).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide?
2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide has a molecular weight of 370.47 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N-[2-(4-fluorophenyl)-3-pyridin-3-ylpropyl]acetamide is sourced from PubChem (CID 18735085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).