(4,4-difluoropiperidin-1-yl)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methanone

C16H22F2N4O — CID 155975789

IUPAC(4,4-difluoropiperidin-1-yl)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCc1nccc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1
InChIInChI=1S/C16H22F2N4O/c1-12-19-7-2-14(20-12)21-8-3-13(4-9-21)15(23)22-10-5-16(17,18)6-11-22/h2,7,13H,3-6,8-11H2,1H3
InChIKeyYZOOBNHZIHHSBP-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.26
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methanone (PubChem CID 155975789) has the molecular formula C16H22F2N4O and a molecular weight of 324.38 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methanone
PubChem CID155975789
Molecular FormulaC16H22F2N4O
Molecular Weight324.38 g/mol
Exact Mass324.18
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methanone
SMILESCc1nccc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1
InChIInChI=1S/C16H22F2N4O/c1-12-19-7-2-14(20-12)21-8-3-13(4-9-21)15(23)22-10-5-16(17,18)6-11-22/h2,7,13H,3-6,8-11H2,1H3
InChIKeyYZOOBNHZIHHSBP-UHFFFAOYSA-N
XLogP2.26
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Gepirone
CID 55191
Bmy 21502
CID 129930
(4-Methylpiperidin-1-yl)-[1-(6-piperidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 53170408
Piperidino[1-(6-piperidino-4-pyrimidinyl)-4-piperidyl]methanone
CID 53170406
(4-Methylpiperidin-1-yl)-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 133534377
[1-[6-(Dimethylamino)pyrimidin-4-yl]piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 155515923
2-{1-[2-(Methylamino)pyrimidin-4-YL]piperidin-4-YL}-N-(3-methylbutyl)acetamide
CID 53189388
N-Ethyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 3224207
1-(2-Pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)ethanone
CID 3234494
1-(9-Pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)ethanone
CID 3235364
2-[1-(2-Methoxy-4-pyrimidinyl)-4-piperidyl]-1-{4-[2-oxo-2-(1-pyrrolidinyl)ethyl]piperazino}-1-ethanone
CID 53189270
N-[2-(pyrimidin-2-ylamino)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 53501242

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methanone (CID 155975789) is (4,4-difluoropiperidin-1-yl)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methanone is Cc1nccc(N2CCC(C(=O)N3CCC(F)(F)CC3)CC2)n1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methanone?
The InChIKey is YZOOBNHZIHHSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4O/c1-12-19-7-2-14(20-12)21-8-3-13(4-9-21)15(23)22-10-5-16(17,18)6-11-22/h2,7,13H,3-6,8-11H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methanone has a molecular weight of 324.38 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 155975789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).