N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperazin-1-ylpropanamide

C11H21F2N3O2 — CID 114154234

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)NCC(F)(F)CO)N1CCNCC1
InChIInChI=1S/C11H21F2N3O2/c1-10(2,16-5-3-14-4-6-16)9(18)15-7-11(12,13)8-17/h14,17H,3-8H2,1-2H3,(H,15,18)
InChIKeyWIVYMQPELMMASW-UHFFFAOYSA-N
MW265.30 g/mol
LogP-0.59
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperazin-1-ylpropanamide

N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperazin-1-ylpropanamide (PubChem CID 114154234) has the molecular formula C11H21F2N3O2 and a molecular weight of 265.30 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperazin-1-ylpropanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperazin-1-ylpropanamide
PubChem CID114154234
Molecular FormulaC11H21F2N3O2
Molecular Weight265.30 g/mol
Exact Mass265.16
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperazin-1-ylpropanamide
SMILESCC(C)(C(=O)NCC(F)(F)CO)N1CCNCC1
InChIInChI=1S/C11H21F2N3O2/c1-10(2,16-5-3-14-4-6-16)9(18)15-7-11(12,13)8-17/h14,17H,3-8H2,1-2H3,(H,15,18)
InChIKeyWIVYMQPELMMASW-UHFFFAOYSA-N
XLogP-0.59
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Piperazinone, 3,3-dimethyl-4-(2-hydroxyethyl)-
CID 211160
1-(1-Hydroxy-2-methylpropan-2-yl)-3,3,5,5-tetramethylpiperazin-2-one
CID 12580998
5,5-Dimethyl-4-(3,3,3-trifluoropropanoyl)piperazin-2-one
CID 119051597
3,3-Dimethyl-4-[3-(2,2,3,3-tetrafluoropropoxy)propanoyl]piperazin-2-one
CID 121586878
3-Hydroxy-2-methyl-1-[3-(trifluoromethyl)piperazin-1-yl]propan-1-one
CID 143767696
1-Tert-butyl-3-methyl-5-(trifluoromethyl)piperazin-2-one
CID 175475704
2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide
CID 175626370
2-[4-(3-methoxypropyl)-3-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 175626407
2-[(3S)-4-(3-methoxypropyl)-3-(trifluoromethyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 175626419
4-(1-Hydroxy-2-methylpropan-2-yl)-3,3,6,6-tetramethylpiperazin-2-one
CID 12581006
2-(ethylamino)-N-(2-hydroxyethyl)-2-methyl-N-(2,2,2-trifluoroethyl)propanamide
CID 55121486
2-(3,3-dimethyl-2-oxopiperazin-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 55215753

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperazin-1-ylpropanamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperazin-1-ylpropanamide (CID 114154234) is N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperazin-1-ylpropanamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperazin-1-ylpropanamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperazin-1-ylpropanamide is CC(C)(C(=O)NCC(F)(F)CO)N1CCNCC1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperazin-1-ylpropanamide?
The InChIKey is WIVYMQPELMMASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N3O2/c1-10(2,16-5-3-14-4-6-16)9(18)15-7-11(12,13)8-17/h14,17H,3-8H2,1-2H3,(H,15,18).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperazin-1-ylpropanamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperazin-1-ylpropanamide has a molecular weight of 265.30 g/mol, XLogP of -0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-methyl-2-piperazin-1-ylpropanamide is sourced from PubChem (CID 114154234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).