N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide

C20H26FN3O2 — CID 16809878

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(c1ccco1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H26FN3O2/c1-15(2)20(25)22-14-18(19-4-3-13-26-19)24-11-9-23(10-12-24)17-7-5-16(21)6-8-17/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyMIDCGQPLFCVDEZ-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.05
Rot. Bonds6

About N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide (PubChem CID 16809878) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide
PubChem CID16809878
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCC(c1ccco1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C20H26FN3O2/c1-15(2)20(25)22-14-18(19-4-3-13-26-19)24-11-9-23(10-12-24)17-7-5-16(21)6-8-17/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,22,25)
InChIKeyMIDCGQPLFCVDEZ-UHFFFAOYSA-N
XLogP3.05
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 7162865
N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]acetamide
CID 7162857
N-[2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide
CID 16810000
N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-2-methylpropanamide
CID 7163085
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]propanamide
CID 16809877
N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 41234278
N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclopropanecarboxamide
CID 7162829
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 16809937
N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 41234286
N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-methoxyethyl)oxamide
CID 7162803
N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-phenylethyl)oxamide
CID 41234310
4-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 16809868

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide (CID 16809878) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide is CC(C)C(=O)NCC(c1ccco1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide?
The InChIKey is MIDCGQPLFCVDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-15(2)20(25)22-14-18(19-4-3-13-26-19)24-11-9-23(10-12-24)17-7-5-16(21)6-8-17/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,22,25).
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide has a molecular weight of 359.45 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 16809878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).