N-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylbutanamide

C17H32F2N4O — CID 166466806

IUPACN-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC1CCN(CCN2CCN(C)CC2)CC1(F)F
InChIInChI=1S/C17H32F2N4O/c1-4-14(2)16(24)20-15-5-6-23(13-17(15,18)19)12-11-22-9-7-21(3)8-10-22/h14-15H,4-13H2,1-3H3,(H,20,24)
InChIKeyZCRFJWWWDCNMCK-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.11
Rot. Bonds6

About N-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylbutanamide

N-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylbutanamide (PubChem CID 166466806) has the molecular formula C17H32F2N4O and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylbutanamide
PubChem CID166466806
Molecular FormulaC17H32F2N4O
Molecular Weight346.47 g/mol
Exact Mass346.25
IUPAC NameN-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)NC1CCN(CCN2CCN(C)CC2)CC1(F)F
InChIInChI=1S/C17H32F2N4O/c1-4-14(2)16(24)20-15-5-6-23(13-17(15,18)19)12-11-22-9-7-21(3)8-10-22/h14-15H,4-13H2,1-3H3,(H,20,24)
InChIKeyZCRFJWWWDCNMCK-UHFFFAOYSA-N
XLogP1.11
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide
CID 75386858
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 53501869
N-[2-(3-methylpiperidin-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 53515968
(2S)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-(trifluoromethylamino)propan-1-one
CID 21060519
3,3,3-Trifluoro-1-[4-methyl-3-(methylamino)piperidin-1-yl]propan-1-one
CID 21983824
2,2,2-trifluoro-N-[[1-methyl-4-(4-methylpiperazin-1-yl)piperidin-4-yl]methyl]acetamide
CID 57989598
2,2,2-trifluoro-N-[[4-(4-methylpiperazin-1-yl)piperidin-4-yl]methyl]acetamide
CID 57989613
2-(4-tert-butylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide
CID 68177756
2-(4-ethylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide
CID 68185906
[4-[4-[[(1S,2S)-2-aminocyclohexyl]amino]piperidin-1-yl]piperidin-1-yl]-(2,2-difluorocyclopropyl)methanone
CID 70309089
(2R)-2-amino-4,4,4-trifluoro-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]butan-1-one
CID 91228977
2-(4-methylpiperidin-1-yl)-N-piperidin-4-yl-N-(4,4,4-trifluoro-2-methylbutyl)acetamide
CID 118052221

Frequently Asked Questions

What is the IUPAC name of N-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylbutanamide?
The IUPAC name of N-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylbutanamide (CID 166466806) is N-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylbutanamide.
What is the SMILES notation for N-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylbutanamide?
The canonical SMILES for N-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylbutanamide is CCC(C)C(=O)NC1CCN(CCN2CCN(C)CC2)CC1(F)F.
What is the InChIKey of N-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylbutanamide?
The InChIKey is ZCRFJWWWDCNMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F2N4O/c1-4-14(2)16(24)20-15-5-6-23(13-17(15,18)19)12-11-22-9-7-21(3)8-10-22/h14-15H,4-13H2,1-3H3,(H,20,24).
What are the key properties of N-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylbutanamide?
N-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylbutanamide has a molecular weight of 346.47 g/mol, XLogP of 1.11, 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-methylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylbutanamide is sourced from PubChem (CID 166466806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).