N-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

C15H21F2N3O2 — CID 719526

IUPACN-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(CCO)CC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2N3O2/c16-13-2-1-12(11-14(13)17)18-15(22)3-4-19-5-7-20(8-6-19)9-10-21/h1-2,11,21H,3-10H2,(H,18,22)
InChIKeyXICMQOBCAKGYQD-UHFFFAOYSA-N
MW313.35 g/mol
LogP0.90
Rot. Bonds6

About N-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide

N-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide (PubChem CID 719526) has the molecular formula C15H21F2N3O2 and a molecular weight of 313.35 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
PubChem CID719526
Molecular FormulaC15H21F2N3O2
Molecular Weight313.35 g/mol
Exact Mass313.16
IUPAC NameN-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
SMILESO=C(CCN1CCN(CCO)CC1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C15H21F2N3O2/c16-13-2-1-12(11-14(13)17)18-15(22)3-4-19-5-7-20(8-6-19)9-10-21/h1-2,11,21H,3-10H2,(H,18,22)
InChIKeyXICMQOBCAKGYQD-UHFFFAOYSA-N
XLogP0.90
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(azepan-1-yl)-N-(3,4-difluorophenyl)propanamide;hydrochloride
CID 90483211
N-(3,4-difluorophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 30101240
N,N'-bis(3,4-difluorophenyl)butanediamide
CID 896186
3-[4-[2-(2-chloroanilino)-2-oxoethyl]piperazin-1-yl]-N-(3,4-difluorophenyl)propanamide
CID 30739246
N-(3,4-difluorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propanamide;hydrochloride
CID 91962017
3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 111912608
N-(3,4-difluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145276
ethyl 1-[3-(3,4-difluoroanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 739948
N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 9210364
N-(3,4-difluorophenyl)-3-pyrrol-1-ylpropanamide
CID 110688754
N-(3,5-dimethylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 2901262
N-(3-tert-butylphenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide
CID 20619607

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide (CID 719526) is N-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide is O=C(CCN1CCN(CCO)CC1)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
The InChIKey is XICMQOBCAKGYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2/c16-13-2-1-12(11-14(13)17)18-15(22)3-4-19-5-7-20(8-6-19)9-10-21/h1-2,11,21H,3-10H2,(H,18,22).
What are the key properties of N-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide?
N-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide has a molecular weight of 313.35 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 719526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).