N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide

C19H24FN3O2 — CID 46674028

IUPACN-[(4-fluorophenyl)methyl]-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NCc1ccc(F)cc1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C19H24FN3O2/c1-15(19(24)21-13-16-4-6-17(20)7-5-16)23-10-8-22(9-11-23)14-18-3-2-12-25-18/h2-7,12,15H,8-11,13-14H2,1H3,(H,21,24)
InChIKeySHSGFGUQHVBTIH-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.24
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide

N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide (PubChem CID 46674028) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
PubChem CID46674028
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
SMILESCC(C(=O)NCc1ccc(F)cc1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C19H24FN3O2/c1-15(19(24)21-13-16-4-6-17(20)7-5-16)23-10-8-22(9-11-23)14-18-3-2-12-25-18/h2-7,12,15H,8-11,13-14H2,1H3,(H,21,24)
InChIKeySHSGFGUQHVBTIH-UHFFFAOYSA-N
XLogP2.24
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(4-fluorophenyl)methyl]-2-[4-[(2R)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]piperazin-1-yl]propanamide
CID 30958923
(2S)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(2-methylsulfanylphenyl)propanamide
CID 31126851
(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 30724914
2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one
CID 51281818
(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-1-(1H-indol-3-yl)propan-1-one
CID 99802307
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]propanamide
CID 46043603
(2S)-N-(3-chloro-2-methylphenyl)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide
CID 30740476
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95342275
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95342273
4-(furan-2-ylmethyl)-N-[[4-(2-methylpropoxy)phenyl]methyl]piperazine-1-carboxamide
CID 87036773
N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106373
(2S)-N-[(4-fluorophenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275580

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide (CID 46674028) is N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide is CC(C(=O)NCc1ccc(F)cc1)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide?
The InChIKey is SHSGFGUQHVBTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-15(19(24)21-13-16-4-6-17(20)7-5-16)23-10-8-22(9-11-23)14-18-3-2-12-25-18/h2-7,12,15H,8-11,13-14H2,1H3,(H,21,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide?
N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide has a molecular weight of 345.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[4-(furan-2-ylmethyl)piperazin-1-yl]propanamide is sourced from PubChem (CID 46674028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).