1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide

C25H33FN6O2 — CID 175260722

IUPAC1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)N3CCN(C(=O)Nc4ccc(F)cc4)CC3)cc2)CC1
InChIInChI=1S/C25H33FN6O2/c1-2-29-11-13-30(14-12-29)19-20-3-7-22(8-4-20)27-24(33)31-15-17-32(18-16-31)25(34)28-23-9-5-21(26)6-10-23/h3-10H,2,11-19H2,1H3,(H,27,33)(H,28,34)
InChIKeyYHJWDOQKAKSVIO-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.34
Rot. Bonds5

About 1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide

1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide (PubChem CID 175260722) has the molecular formula C25H33FN6O2 and a molecular weight of 468.58 g/mol. Its IUPAC name is 1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide
PubChem CID175260722
Molecular FormulaC25H33FN6O2
Molecular Weight468.58 g/mol
Exact Mass468.26
IUPAC Name1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide
SMILESCCN1CCN(Cc2ccc(NC(=O)N3CCN(C(=O)Nc4ccc(F)cc4)CC3)cc2)CC1
InChIInChI=1S/C25H33FN6O2/c1-2-29-11-13-30(14-12-29)19-20-3-7-22(8-4-20)27-24(33)31-15-17-32(18-16-31)25(34)28-23-9-5-21(26)6-10-23/h3-10H,2,11-19H2,1H3,(H,27,33)(H,28,34)
InChIKeyYHJWDOQKAKSVIO-UHFFFAOYSA-N
XLogP3.34
TPSA71.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-tert-butylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 113107573
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 60510437
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
N-ethyl-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide;molecular hydrogen
CID 143541774
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 17087387
N-(4-ethylphenyl)-2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]acetamide
CID 22195926
N-(4-fluorophenyl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 3030092
N-(4-tert-butylphenyl)-4-ethylpiperazine-1-carboxamide
CID 108884847
4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881
N-[4-(dimethylamino)phenyl]-4-ethylpiperazine-1-carboxamide
CID 108894833
4-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 6470193
N-(2,3-dimethylphenyl)-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 17297980

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide?
The IUPAC name of 1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide (CID 175260722) is 1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide is CCN1CCN(Cc2ccc(NC(=O)N3CCN(C(=O)Nc4ccc(F)cc4)CC3)cc2)CC1.
What is the InChIKey of 1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide?
The InChIKey is YHJWDOQKAKSVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN6O2/c1-2-29-11-13-30(14-12-29)19-20-3-7-22(8-4-20)27-24(33)31-15-17-32(18-16-31)25(34)28-23-9-5-21(26)6-10-23/h3-10H,2,11-19H2,1H3,(H,27,33)(H,28,34).
What are the key properties of 1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide?
1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide has a molecular weight of 468.58 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-4-N-(4-fluorophenyl)piperazine-1,4-dicarboxamide is sourced from PubChem (CID 175260722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).