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

C15H28F2N4O — CID 154671521

IUPACN-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide
SMILESCC(C)N1CCN(CCN2CCC(NC=O)C(F)(F)C2)CC1
InChIInChI=1S/C15H28F2N4O/c1-13(2)21-9-7-19(8-10-21)5-6-20-4-3-14(18-12-22)15(16,17)11-20/h12-14H,3-11H2,1-2H3,(H,18,22)
InChIKeyLVMBUTPVPGDOLD-UHFFFAOYSA-N
MW318.41 g/mol
LogP0.47
Rot. Bonds6

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

N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide (PubChem CID 154671521) has the molecular formula C15H28F2N4O and a molecular weight of 318.41 g/mol. Its IUPAC name is N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide.

Molecular Properties

Compound NameN-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide
PubChem CID154671521
Molecular FormulaC15H28F2N4O
Molecular Weight318.41 g/mol
Exact Mass318.22
IUPAC NameN-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide
SMILESCC(C)N1CCN(CCN2CCC(NC=O)C(F)(F)C2)CC1
InChIInChI=1S/C15H28F2N4O/c1-13(2)21-9-7-19(8-10-21)5-6-20-4-3-14(18-12-22)15(16,17)11-20/h12-14H,3-11H2,1-2H3,(H,18,22)
InChIKeyLVMBUTPVPGDOLD-UHFFFAOYSA-N
XLogP0.47
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Methyl 4-[[1-(3,3,3-trifluoropropyl)piperidin-4-yl]amino]piperidine-1-carboxylate
CID 75500546
(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(trifluoromethylamino)propan-1-one
CID 21060519
(2R)-2-amino-4,4,4-trifluoro-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]butan-1-one
CID 91228977
N-[1-(2,2,2-trifluoroethyl)piperidin-3-yl]formamide
CID 126606046
N-[1-(1,1-difluoropropan-2-yl)piperidin-4-yl]formamide
CID 134430847
2,2,2-Trifluoro-1-(4-piperazin-1-ylpiperidin-1-yl)ethanone
CID 140154101
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]formamide
CID 142323224
2,2,2-trifluoro-N-(1-methylpiperidin-4-yl)-N-piperidin-4-ylacetamide
CID 144008993
1-[4-(3-Amino-5-fluoropiperidin-4-yl)piperazin-1-yl]ethanone
CID 144642155
3,3-Difluoropiperidine-1-carbaldehyde;1-methyl-4-propan-2-ylpiperazine
CID 145233597
4,4-Difluoropiperidine-1-carbaldehyde;1-methyl-4-propan-2-ylpiperazine
CID 145233611
N-[1-(1-ethyl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]acetamide
CID 154670379

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]formamide?
The IUPAC name of N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide (CID 154671521) is N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide.
What is the SMILES notation for N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide?
The canonical SMILES for N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide is CC(C)N1CCN(CCN2CCC(NC=O)C(F)(F)C2)CC1.
What is the InChIKey of N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide?
The InChIKey is LVMBUTPVPGDOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N4O/c1-13(2)21-9-7-19(8-10-21)5-6-20-4-3-14(18-12-22)15(16,17)11-20/h12-14H,3-11H2,1-2H3,(H,18,22).
What are the key properties of N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide?
N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide has a molecular weight of 318.41 g/mol, XLogP of 0.47, 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]formamide is sourced from PubChem (CID 154671521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).