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

C19H38F2N4O — CID 154671520

IUPACN-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide;2-methylpropane
SMILESCC(C)C.CC(C)N1CCN(CCN2CCC(NC=O)C(F)(F)C2)CC1
InChIInChI=1S/C15H28F2N4O.C4H10/c1-13(2)21-9-7-19(8-10-21)5-6-20-4-3-14(18-12-22)15(16,17)11-20;1-4(2)3/h12-14H,3-11H2,1-2H3,(H,18,22);4H,1-3H3
InChIKeyCJVBAHKYWYYINY-UHFFFAOYSA-N
MW376.54 g/mol
LogP2.13
Rot. Bonds6

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

N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide;2-methylpropane (PubChem CID 154671520) has the molecular formula C19H38F2N4O and a molecular weight of 376.54 g/mol. Its IUPAC name is N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide;2-methylpropane.

Molecular Properties

Compound NameN-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide;2-methylpropane
PubChem CID154671520
Molecular FormulaC19H38F2N4O
Molecular Weight376.54 g/mol
Exact Mass376.30
IUPAC NameN-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide;2-methylpropane
SMILESCC(C)C.CC(C)N1CCN(CCN2CCC(NC=O)C(F)(F)C2)CC1
InChIInChI=1S/C15H28F2N4O.C4H10/c1-13(2)21-9-7-19(8-10-21)5-6-20-4-3-14(18-12-22)15(16,17)11-20;1-4(2)3/h12-14H,3-11H2,1-2H3,(H,18,22);4H,1-3H3
InChIKeyCJVBAHKYWYYINY-UHFFFAOYSA-N
XLogP2.13
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 52.13
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

N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide
CID 154670016
N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide;ethane
CID 154670761
N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylpropanamide;molecular hydrogen
CID 154671026
ethane;N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide;molecular hydrogen
CID 154671114
N-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]acetamide
CID 154671152
N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]-2-methylpropanamide
CID 155599439
N-[3,3-difluoro-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-4-yl]-2-methylbutanamide
CID 166466806
N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]propanamide
CID 169669523
N-[1-(1-butan-2-yl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]-2-methylpropanamide
CID 170175651
4-(4-Butylpiperazin-1-yl)-3,3-difluoropiperidine-1-carbaldehyde;ethane
CID 176558302
4-(Methylamino)-4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)piperidine-1-carbaldehyde
CID 151450971
N-[1-[2-(4-ethylpiperazin-1-yl)ethyl]-3,3-difluoropiperidin-4-yl]propanamide
CID 154671115

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;2-methylpropane?
The IUPAC name of N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide;2-methylpropane (CID 154671520) is N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide;2-methylpropane.
What is the SMILES notation for N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide;2-methylpropane?
The canonical SMILES for N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide;2-methylpropane is CC(C)C.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;2-methylpropane?
The InChIKey is CJVBAHKYWYYINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F2N4O.C4H10/c1-13(2)21-9-7-19(8-10-21)5-6-20-4-3-14(18-12-22)15(16,17)11-20;1-4(2)3/h12-14H,3-11H2,1-2H3,(H,18,22);4H,1-3H3.
What are the key properties of N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide;2-methylpropane?
N-[3,3-difluoro-1-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-yl]formamide;2-methylpropane has a molecular weight of 376.54 g/mol, XLogP of 2.13, 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;2-methylpropane is sourced from PubChem (CID 154671520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).