N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide

C18H34F2N4O — CID 154670016

IUPACN-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(CCN2CCN(C(C)C)CC2)CC1(F)F
InChIInChI=1S/C18H34F2N4O/c1-14(2)17(25)21-16-5-6-23(13-18(16,19)20)8-7-22-9-11-24(12-10-22)15(3)4/h14-16H,5-13H2,1-4H3,(H,21,25)
InChIKeyPXFLQXAVPHCMDX-UHFFFAOYSA-N
MW360.49 g/mol
LogP1.49
Rot. Bonds6

About N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide

N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide (PubChem CID 154670016) has the molecular formula C18H34F2N4O and a molecular weight of 360.49 g/mol. Its IUPAC name is N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide
PubChem CID154670016
Molecular FormulaC18H34F2N4O
Molecular Weight360.49 g/mol
Exact Mass360.27
IUPAC NameN-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)C(=O)NC1CCN(CCN2CCN(C(C)C)CC2)CC1(F)F
InChIInChI=1S/C18H34F2N4O/c1-14(2)17(25)21-16-5-6-23(13-18(16,19)20)8-7-22-9-11-24(12-10-22)15(3)4/h14-16H,5-13H2,1-4H3,(H,21,25)
InChIKeyPXFLQXAVPHCMDX-UHFFFAOYSA-N
XLogP1.49
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.49
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide (CID 154670016) is N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide is CC(C)C(=O)NC1CCN(CCN2CCN(C(C)C)CC2)CC1(F)F.
What is the InChIKey of N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide?
The InChIKey is PXFLQXAVPHCMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34F2N4O/c1-14(2)17(25)21-16-5-6-23(13-18(16,19)20)8-7-22-9-11-24(12-10-22)15(3)4/h14-16H,5-13H2,1-4H3,(H,21,25).
What are the key properties of N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide?
N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide has a molecular weight of 360.49 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 154670016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).