1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione

C23H28FN5O2 — CID 14098744

IUPAC1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione
SMILESO=C1CN(Cc2ccccn2)CC(=O)N1CCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28FN5O2/c24-19-5-7-21(8-6-19)28-14-12-26(13-15-28)10-3-11-29-22(30)17-27(18-23(29)31)16-20-4-1-2-9-25-20/h1-2,4-9H,3,10-18H2
InChIKeyQBQNVWYNYUJWAR-UHFFFAOYSA-N
MW425.51 g/mol
LogP1.60
Rot. Bonds7

About 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione

1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione (PubChem CID 14098744) has the molecular formula C23H28FN5O2 and a molecular weight of 425.51 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione.

Molecular Properties

Compound Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione
PubChem CID14098744
Molecular FormulaC23H28FN5O2
Molecular Weight425.51 g/mol
Exact Mass425.22
IUPAC Name1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione
SMILESO=C1CN(Cc2ccccn2)CC(=O)N1CCCN1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H28FN5O2/c24-19-5-7-21(8-6-19)28-14-12-26(13-15-28)10-3-11-29-22(30)17-27(18-23(29)31)16-20-4-1-2-9-25-20/h1-2,4-9H,3,10-18H2
InChIKeyQBQNVWYNYUJWAR-UHFFFAOYSA-N
XLogP1.60
TPSA59.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-[2-[4-[(4-fluorophenyl)-phenylmethylidene]piperidin-1-yl]ethyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione
CID 15086307
1-phenyl-4-(pyridin-2-ylmethyl)piperazine
CID 1090338
1-[4,4-bis(4-fluorophenyl)butyl]-4-(pyridin-2-ylmethyl)piperazine
CID 25164681
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 3074813
1-(4-methoxyphenyl)-4-(pyridin-2-ylmethyl)piperazine
CID 134032862
3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-7-methyl-1-(pyridin-2-ylmethyl)quinolin-2-one
CID 29256594
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 110696933
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
4-(4-fluorophenyl)-9-(pyridin-2-ylmethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985854
1-(4-fluorophenyl)-4-(pyrimidin-2-ylmethyl)-1,4-diazepane
CID 171388409
1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone
CID 91843582
5,5-bis(4-fluorophenyl)-2-pyridin-2-yl-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]imidazol-4-one
CID 142917534

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione?
The IUPAC name of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione (CID 14098744) is 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione.
What is the SMILES notation for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione?
The canonical SMILES for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione is O=C1CN(Cc2ccccn2)CC(=O)N1CCCN1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione?
The InChIKey is QBQNVWYNYUJWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O2/c24-19-5-7-21(8-6-19)28-14-12-26(13-15-28)10-3-11-29-22(30)17-27(18-23(29)31)16-20-4-1-2-9-25-20/h1-2,4-9H,3,10-18H2.
What are the key properties of 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione?
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione has a molecular weight of 425.51 g/mol, XLogP of 1.60, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-4-(pyridin-2-ylmethyl)piperazine-2,6-dione is sourced from PubChem (CID 14098744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).