2-[4-[2-fluoro-3-(hydroxymethyl)phenyl]piperazin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide

C19H30FN3O2 — CID 169180325

IUPAC2-[4-[2-fluoro-3-(hydroxymethyl)phenyl]piperazin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)(C)N1CCN(c2cccc(CO)c2F)CC1
InChIInChI=1S/C19H30FN3O2/c1-14(2)12-21-18(25)19(3,4)23-10-8-22(9-11-23)16-7-5-6-15(13-24)17(16)20/h5-7,14,24H,8-13H2,1-4H3,(H,21,25)
InChIKeyRQNHKYQOQXBTTM-UHFFFAOYSA-N
MW351.47 g/mol
LogP1.99
Rot. Bonds6

About 2-[4-[2-fluoro-3-(hydroxymethyl)phenyl]piperazin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide

2-[4-[2-fluoro-3-(hydroxymethyl)phenyl]piperazin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide (PubChem CID 169180325) has the molecular formula C19H30FN3O2 and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-[4-[2-fluoro-3-(hydroxymethyl)phenyl]piperazin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-[4-[2-fluoro-3-(hydroxymethyl)phenyl]piperazin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide
PubChem CID169180325
Molecular FormulaC19H30FN3O2
Molecular Weight351.47 g/mol
Exact Mass351.23
IUPAC Name2-[4-[2-fluoro-3-(hydroxymethyl)phenyl]piperazin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide
SMILESCC(C)CNC(=O)C(C)(C)N1CCN(c2cccc(CO)c2F)CC1
InChIInChI=1S/C19H30FN3O2/c1-14(2)12-21-18(25)19(3,4)23-10-8-22(9-11-23)16-7-5-6-15(13-24)17(16)20/h5-7,14,24H,8-13H2,1-4H3,(H,21,25)
InChIKeyRQNHKYQOQXBTTM-UHFFFAOYSA-N
XLogP1.99
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-(3-methylbutyl)propanamide
CID 169180327
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 46043414
1-[4-[1-[2-fluoro-3-(hydroxymethyl)phenyl]azetidin-3-yl]piperidin-1-yl]propan-1-one
CID 86686248
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)-3-oxopropanamide
CID 108941605
tert-butyl 4-[3-(chloromethyl)-2-fluorophenyl]piperazine-1-carboxylate
CID 66765315
2-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide
CID 169180335
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)propanamide
CID 109012608
N-(2-methylpropyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113104125
4-(2-bromophenyl)-N-(2-methylpropyl)piperazine-1-carboxamide
CID 113104118
3-(3,4-dihydro-2H-quinolin-1-yl)-2,2-dimethyl-N-(2-methylpropyl)-3-oxopropanamide
CID 108958049
(1-propan-2-yl-2,3-dihydroindol-4-yl)methanol
CID 115114810
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165674

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-fluoro-3-(hydroxymethyl)phenyl]piperazin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-[4-[2-fluoro-3-(hydroxymethyl)phenyl]piperazin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide (CID 169180325) is 2-[4-[2-fluoro-3-(hydroxymethyl)phenyl]piperazin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-[4-[2-fluoro-3-(hydroxymethyl)phenyl]piperazin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-[4-[2-fluoro-3-(hydroxymethyl)phenyl]piperazin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide is CC(C)CNC(=O)C(C)(C)N1CCN(c2cccc(CO)c2F)CC1.
What is the InChIKey of 2-[4-[2-fluoro-3-(hydroxymethyl)phenyl]piperazin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide?
The InChIKey is RQNHKYQOQXBTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN3O2/c1-14(2)12-21-18(25)19(3,4)23-10-8-22(9-11-23)16-7-5-6-15(13-24)17(16)20/h5-7,14,24H,8-13H2,1-4H3,(H,21,25).
What are the key properties of 2-[4-[2-fluoro-3-(hydroxymethyl)phenyl]piperazin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide?
2-[4-[2-fluoro-3-(hydroxymethyl)phenyl]piperazin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide has a molecular weight of 351.47 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-fluoro-3-(hydroxymethyl)phenyl]piperazin-1-yl]-2-methyl-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 169180325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).