(2,5-difluorophenyl)-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanone

C18H24F2N2O — CID 119930632

IUPAC(2,5-difluorophenyl)-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanone
SMILESO=C(c1cc(F)ccc1F)C1CCN(CC2CCCNC2)CC1
InChIInChI=1S/C18H24F2N2O/c19-15-3-4-17(20)16(10-15)18(23)14-5-8-22(9-6-14)12-13-2-1-7-21-11-13/h3-4,10,13-14,21H,1-2,5-9,11-12H2
InChIKeyNPYOLLZVZFFWPY-UHFFFAOYSA-N
MW322.40 g/mol
LogP2.86
Rot. Bonds4

About (2,5-difluorophenyl)-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanone

(2,5-difluorophenyl)-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanone (PubChem CID 119930632) has the molecular formula C18H24F2N2O and a molecular weight of 322.40 g/mol. Its IUPAC name is (2,5-difluorophenyl)-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,5-difluorophenyl)-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanone
PubChem CID119930632
Molecular FormulaC18H24F2N2O
Molecular Weight322.40 g/mol
Exact Mass322.19
IUPAC Name(2,5-difluorophenyl)-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanone
SMILESO=C(c1cc(F)ccc1F)C1CCN(CC2CCCNC2)CC1
InChIInChI=1S/C18H24F2N2O/c19-15-3-4-17(20)16(10-15)18(23)14-5-8-22(9-6-14)12-13-2-1-7-21-11-13/h3-4,10,13-14,21H,1-2,5-9,11-12H2
InChIKeyNPYOLLZVZFFWPY-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-difluorophenyl)sulfonyl-4-(piperidin-3-ylmethyl)piperazine;hydrochloride
CID 119929786
(3-fluorophenyl)-[4-(piperidin-3-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 119930083
1-(2-amino-5-fluorophenyl)-2-piperidin-3-ylethanone
CID 105497823
(2,4-difluorophenyl)-piperidin-3-ylmethanone
CID 24689284
(4-fluorophenyl)-[1-(piperidin-4-ylmethyl)piperidin-4-yl]methanone;hydrochloride
CID 120847748
N-cyclopropyl-3-[4-(2,5-difluorobenzoyl)piperidin-1-yl]propanamide
CID 51087123
N-cyclopropyl-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-N-ethylacetamide
CID 55739387
4-fluoro-N-[1-(piperidin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide;hydrochloride
CID 119930553
N-(5-bromo-2-pyridinyl)-1-(piperidin-3-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 120847820
N-(tert-butylcarbamoyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55738197
3-[2-(2,5-difluorophenyl)ethyl]piperidine
CID 62234772
1-[[(3R)-1-[[(3S)-piperidin-3-yl]methyl]pyrrolidin-3-yl]methyl]piperidine-4-carboxamide
CID 177096923

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanone?
The IUPAC name of (2,5-difluorophenyl)-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanone (CID 119930632) is (2,5-difluorophenyl)-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanone.
What is the SMILES notation for (2,5-difluorophenyl)-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanone?
The canonical SMILES for (2,5-difluorophenyl)-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanone is O=C(c1cc(F)ccc1F)C1CCN(CC2CCCNC2)CC1.
What is the InChIKey of (2,5-difluorophenyl)-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanone?
The InChIKey is NPYOLLZVZFFWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N2O/c19-15-3-4-17(20)16(10-15)18(23)14-5-8-22(9-6-14)12-13-2-1-7-21-11-13/h3-4,10,13-14,21H,1-2,5-9,11-12H2.
What are the key properties of (2,5-difluorophenyl)-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanone?
(2,5-difluorophenyl)-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanone has a molecular weight of 322.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-[1-(piperidin-3-ylmethyl)piperidin-4-yl]methanone is sourced from PubChem (CID 119930632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).