N-(2-fluorophenyl)-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide

C15H22FN3O2 — CID 62885016

IUPACN-(2-fluorophenyl)-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide
SMILESCC(C)(O)CN1CCN(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C15H22FN3O2/c1-15(2,21)11-18-7-9-19(10-8-18)14(20)17-13-6-4-3-5-12(13)16/h3-6,21H,7-11H2,1-2H3,(H,17,20)
InChIKeyKLVIDCPDUVEDHD-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.75
Rot. Bonds3

About N-(2-fluorophenyl)-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide

N-(2-fluorophenyl)-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide (PubChem CID 62885016) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(2-fluorophenyl)-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide
PubChem CID62885016
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-(2-fluorophenyl)-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide
SMILESCC(C)(O)CN1CCN(C(=O)Nc2ccccc2F)CC1
InChIInChI=1S/C15H22FN3O2/c1-15(2,21)11-18-7-9-19(10-8-18)14(20)17-13-6-4-3-5-12(13)16/h3-6,21H,7-11H2,1-2H3,(H,17,20)
InChIKeyKLVIDCPDUVEDHD-UHFFFAOYSA-N
XLogP1.75
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113110111
N-(2-fluorophenyl)-4-[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17184554
N-(2-fluorophenyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboxamide
CID 6466016
4-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 17456278
N-(2-fluorophenyl)-4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazine-1-carboxamide
CID 86907151
4-(2,6-dimethylphenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113111831
N-(2-fluorophenyl)-4-[(2R)-1-methoxypropan-2-yl]piperazine-1-carboxamide
CID 95151911
4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide
CID 110290716
4-(tert-butylsulfonylamino)-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 20629541
(3R,4S)-N-(2-fluorophenyl)-3,4-dihydroxypyrrolidine-1-carboxamide
CID 79410579
4-(3,4-difluorophenyl)-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112770
4-[4-(dimethylamino)phenyl]-N-(2-fluorophenyl)piperazine-1-carboxamide
CID 113112737

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide (CID 62885016) is N-(2-fluorophenyl)-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide is CC(C)(O)CN1CCN(C(=O)Nc2ccccc2F)CC1.
What is the InChIKey of N-(2-fluorophenyl)-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide?
The InChIKey is KLVIDCPDUVEDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-15(2,21)11-18-7-9-19(10-8-18)14(20)17-13-6-4-3-5-12(13)16/h3-6,21H,7-11H2,1-2H3,(H,17,20).
What are the key properties of N-(2-fluorophenyl)-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide?
N-(2-fluorophenyl)-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-4-(2-hydroxy-2-methylpropyl)piperazine-1-carboxamide is sourced from PubChem (CID 62885016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).