2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylacetamide

C17H25FN2O — CID 106625837

IUPAC2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylacetamide
SMILESCCCN(CC1CCCCN1)C(=O)Cc1cccc(F)c1
InChIInChI=1S/C17H25FN2O/c1-2-10-20(13-16-8-3-4-9-19-16)17(21)12-14-6-5-7-15(18)11-14/h5-7,11,16,19H,2-4,8-10,12-13H2,1H3
InChIKeyZZJYPIXRNXJKOP-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.75
Rot. Bonds6

About 2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylacetamide

2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylacetamide (PubChem CID 106625837) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylacetamide
PubChem CID106625837
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylacetamide
SMILESCCCN(CC1CCCCN1)C(=O)Cc1cccc(F)c1
InChIInChI=1S/C17H25FN2O/c1-2-10-20(13-16-8-3-4-9-19-16)17(21)12-14-6-5-7-15(18)11-14/h5-7,11,16,19H,2-4,8-10,12-13H2,1H3
InChIKeyZZJYPIXRNXJKOP-UHFFFAOYSA-N
XLogP2.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 106626297
2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626682
2-(3-fluorophenyl)-N-methyl-N-(2-piperidin-2-ylethyl)acetamide
CID 43187167
2,4-difluoro-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625849
1-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylpropan-2-amine
CID 106623292
5-fluoro-2-hydroxy-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625545
N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731958
2-phenylsulfanyl-N-(piperidin-2-ylmethyl)-N-propylacetamide
CID 106625638
3-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610518
2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540928
4-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propylbenzamide
CID 106625701
N-propyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106610515

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylacetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylacetamide (CID 106625837) is 2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylacetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylacetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylacetamide is CCCN(CC1CCCCN1)C(=O)Cc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylacetamide?
The InChIKey is ZZJYPIXRNXJKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-2-10-20(13-16-8-3-4-9-19-16)17(21)12-14-6-5-7-15(18)11-14/h5-7,11,16,19H,2-4,8-10,12-13H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylacetamide?
2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylacetamide has a molecular weight of 292.40 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propylacetamide is sourced from PubChem (CID 106625837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).