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

C14H26F2N4O — CID 154671152

IUPACN-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CCN2CCN(C)CC2)CC1(F)F
InChIInChI=1S/C14H26F2N4O/c1-12(21)17-13-3-4-20(11-14(13,15)16)10-9-19-7-5-18(2)6-8-19/h13H,3-11H2,1-2H3,(H,17,21)
InChIKeySEDNYNFROUOLHQ-UHFFFAOYSA-N
MW304.38 g/mol
LogP0.08
Rot. Bonds4

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

N-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]acetamide (PubChem CID 154671152) has the molecular formula C14H26F2N4O and a molecular weight of 304.38 g/mol. Its IUPAC name is N-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]acetamide
PubChem CID154671152
Molecular FormulaC14H26F2N4O
Molecular Weight304.38 g/mol
Exact Mass304.21
IUPAC NameN-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(CCN2CCN(C)CC2)CC1(F)F
InChIInChI=1S/C14H26F2N4O/c1-12(21)17-13-3-4-20(11-14(13,15)16)10-9-19-7-5-18(2)6-8-19/h13H,3-11H2,1-2H3,(H,17,21)
InChIKeySEDNYNFROUOLHQ-UHFFFAOYSA-N
XLogP0.08
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide
CID 154670628
N-[3,3-difluoro-1-[2-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)acetyl]piperidin-4-yl]acetamide;ethane
CID 166466689
N-[(4S)-3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 175623541
ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
CID 178104636
N-[3,3-difluoro-1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]acetamide;molecular hydrogen
CID 154671259
N-[1-(2-iodoethyl)piperidin-4-yl]acetamide
CID 126991191
N-cyclopropyl-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 163456508
1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 139907414
1,4,7-trimethyl-10-[2-(4,7,10-trimethyl-1,4,7,10-tetrazacyclododec-1-yl)ethyl]-1,4,7,10-tetrazacyclododecane
CID 21130153
3-[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-N-methylpropanamide
CID 129349085
methyl 3-(4-acetamidopiperidin-1-yl)propanoate
CID 49438939
N-[4-(4-methylpiperazin-1-yl)butyl]acetamide
CID 110459248

Frequently Asked Questions

What is the IUPAC name of N-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]acetamide (CID 154671152) is N-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]acetamide is CC(=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]acetamide?
The InChIKey is SEDNYNFROUOLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N4O/c1-12(21)17-13-3-4-20(11-14(13,15)16)10-9-19-7-5-18(2)6-8-19/h13H,3-11H2,1-2H3,(H,17,21).
What are the key properties of N-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]acetamide?
N-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]acetamide has a molecular weight of 304.38 g/mol, XLogP of 0.08, 4 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]acetamide is sourced from PubChem (CID 154671152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).