N-cyclopropyl-2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)acetamide

C17H23FN2O — CID 106628805

IUPACN-cyclopropyl-2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)acetamide
SMILESO=C(Cc1cccc(F)c1)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C17H23FN2O/c18-15-5-1-3-13(9-15)10-17(21)20(16-6-7-16)12-14-4-2-8-19-11-14/h1,3,5,9,14,16,19H,2,4,6-8,10-12H2
InChIKeyXBYMLBYANLGJTE-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.36
Rot. Bonds5

About N-cyclopropyl-2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)acetamide

N-cyclopropyl-2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)acetamide (PubChem CID 106628805) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is N-cyclopropyl-2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)acetamide
PubChem CID106628805
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC NameN-cyclopropyl-2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)acetamide
SMILESO=C(Cc1cccc(F)c1)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C17H23FN2O/c18-15-5-1-3-13(9-15)10-17(21)20(16-6-7-16)12-14-4-2-8-19-11-14/h1,3,5,9,14,16,19H,2,4,6-8,10-12H2
InChIKeyXBYMLBYANLGJTE-UHFFFAOYSA-N
XLogP2.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453
(3S)-N-cyclopropyl-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 81128664
2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide
CID 119461967
2-(3-fluorophenyl)-N-piperidin-3-ylacetamide
CID 18071271
N-[(3-fluorophenyl)methyl]-2-piperidin-3-ylacetamide
CID 55105179
N-cyclopentyl-N-ethyl-2-(3-fluorophenyl)acetamide
CID 86926971
2-chloro-N-cyclopropyl-6-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106628756
N-(azepan-4-yl)-2-(3-fluorophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 129008012
1-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propylpropan-2-amine
CID 106625188
N-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119715351
2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]-4-fluorophenol
CID 107699302
N-cyclopropyl-2-methoxy-N-(piperidin-3-ylmethyl)acetamide
CID 106628700

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)acetamide (CID 106628805) is N-cyclopropyl-2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)acetamide is O=C(Cc1cccc(F)c1)N(CC1CCCNC1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)acetamide?
The InChIKey is XBYMLBYANLGJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c18-15-5-1-3-13(9-15)10-17(21)20(16-6-7-16)12-14-4-2-8-19-11-14/h1,3,5,9,14,16,19H,2,4,6-8,10-12H2.
What are the key properties of N-cyclopropyl-2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)acetamide?
N-cyclopropyl-2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)acetamide has a molecular weight of 290.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3-fluorophenyl)-N-(piperidin-3-ylmethyl)acetamide is sourced from PubChem (CID 106628805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).