[2-(4,4-difluoropiperidin-1-yl)pyrimidin-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

C20H29F2N5O — CID 144865140

IUPAC[2-(4,4-difluoropiperidin-1-yl)pyrimidin-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cnc(N2CCC(F)(F)CC2)nc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C20H29F2N5O/c21-20(22)6-12-27(13-7-20)19-23-14-16(15-24-19)18(28)26-10-4-17(5-11-26)25-8-2-1-3-9-25/h14-15,17H,1-13H2
InChIKeyGWHSZTRHFPDPJB-UHFFFAOYSA-N
MW393.48 g/mol
LogP2.80
Rot. Bonds3

About [2-(4,4-difluoropiperidin-1-yl)pyrimidin-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone

[2-(4,4-difluoropiperidin-1-yl)pyrimidin-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 144865140) has the molecular formula C20H29F2N5O and a molecular weight of 393.48 g/mol. Its IUPAC name is [2-(4,4-difluoropiperidin-1-yl)pyrimidin-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(4,4-difluoropiperidin-1-yl)pyrimidin-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID144865140
Molecular FormulaC20H29F2N5O
Molecular Weight393.48 g/mol
Exact Mass393.23
IUPAC Name[2-(4,4-difluoropiperidin-1-yl)pyrimidin-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1cnc(N2CCC(F)(F)CC2)nc1)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C20H29F2N5O/c21-20(22)6-12-27(13-7-20)19-23-14-16(15-24-19)18(28)26-10-4-17(5-11-26)25-8-2-1-3-9-25/h14-15,17H,1-13H2
InChIKeyGWHSZTRHFPDPJB-UHFFFAOYSA-N
XLogP2.80
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.48
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4,4-Difluoropiperidin-1-yl)pyrimidin-5-yl][(3R)-3-methyl-1,4'-bipiperidin-1'-yl]methanone
CID 118190139
[(3R)-3-Methyl-1,4'-bipiperidin-1'-yl][2-(morpholin-4-yl)pyrimidin-5-yl]methanone
CID 118166529
[3-(Cyclopropylmethoxy)-1,4'-bipiperidin-1'-yl][2-(morpholin-4-yl)pyrimidin-5-yl]methanone
CID 118190140
1-Piperidinyl[2-[(5-pyrimidinylmethyl)amino]-5-pyrimidinyl]methanone
CID 139580345
(4-Fluoropiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 172438563
(2-cyclopropylpyrimidin-5-yl)-[(2R)-2-[2-(dimethylamino)ethyl]piperidin-1-yl]methanone
CID 95870094
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 97941770
N-{1-[2-(Dimethylamino)ethyl]piperidin-4-YL}-2-(methylamino)pyrimidine-5-carboxamide
CID 118784620
[2-(ethylamino)pyrimidin-5-yl]-[(2R)-2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 125166997
2-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 57833070
(4-Aminopiperidin-1-yl)-[4-(butylamino)-2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 59625434
2-ethyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]pyrimidine-5-carboxamide
CID 70672879

Frequently Asked Questions

What is the IUPAC name of [2-(4,4-difluoropiperidin-1-yl)pyrimidin-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [2-(4,4-difluoropiperidin-1-yl)pyrimidin-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 144865140) is [2-(4,4-difluoropiperidin-1-yl)pyrimidin-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(4,4-difluoropiperidin-1-yl)pyrimidin-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(4,4-difluoropiperidin-1-yl)pyrimidin-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is O=C(c1cnc(N2CCC(F)(F)CC2)nc1)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of [2-(4,4-difluoropiperidin-1-yl)pyrimidin-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is GWHSZTRHFPDPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29F2N5O/c21-20(22)6-12-27(13-7-20)19-23-14-16(15-24-19)18(28)26-10-4-17(5-11-26)25-8-2-1-3-9-25/h14-15,17H,1-13H2.
What are the key properties of [2-(4,4-difluoropiperidin-1-yl)pyrimidin-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone?
[2-(4,4-difluoropiperidin-1-yl)pyrimidin-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 393.48 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4,4-difluoropiperidin-1-yl)pyrimidin-5-yl]-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 144865140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).