N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]-2-methylpropanamide

C17H32F2N4O — CID 155599439

IUPACN-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]-2-methylpropanamide
SMILESCCN1CCN(CCN2CCC(NC(=O)C(C)C)C(F)(F)C2)CC1
InChIInChI=1S/C17H32F2N4O/c1-4-21-7-9-22(10-8-21)11-12-23-6-5-15(17(18,19)13-23)20-16(24)14(2)3/h14-15H,4-13H2,1-3H3,(H,20,24)
InChIKeyMXGVKLNBVUISLC-UHFFFAOYSA-N
MW346.47 g/mol
LogP1.11
Rot. Bonds6

About N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]-2-methylpropanamide

N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]-2-methylpropanamide (PubChem CID 155599439) has the molecular formula C17H32F2N4O and a molecular weight of 346.47 g/mol. Its IUPAC name is N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]-2-methylpropanamide
PubChem CID155599439
Molecular FormulaC17H32F2N4O
Molecular Weight346.47 g/mol
Exact Mass346.25
IUPAC NameN-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]-2-methylpropanamide
SMILESCCN1CCN(CCN2CCC(NC(=O)C(C)C)C(F)(F)C2)CC1
InChIInChI=1S/C17H32F2N4O/c1-4-21-7-9-22(10-8-21)11-12-23-6-5-15(17(18,19)13-23)20-16(24)14(2)3/h14-15H,4-13H2,1-3H3,(H,20,24)
InChIKeyMXGVKLNBVUISLC-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
2-methyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propanamide
CID 153399082
N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 53501869
(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-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide
CID 62728779
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
N-ethyl-4-piperidin-4-yl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide
CID 86245713

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]-2-methylpropanamide (CID 155599439) is N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]-2-methylpropanamide is CCN1CCN(CCN2CCC(NC(=O)C(C)C)C(F)(F)C2)CC1.
What is the InChIKey of N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]-2-methylpropanamide?
The InChIKey is MXGVKLNBVUISLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F2N4O/c1-4-21-7-9-22(10-8-21)11-12-23-6-5-15(17(18,19)13-23)20-16(24)14(2)3/h14-15H,4-13H2,1-3H3,(H,20,24).
What are the key properties of N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]-2-methylpropanamide?
N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]-2-methylpropanamide 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-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 155599439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).