1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]pyrimidine-2,4-dione

C25H36FN5O3 — CID 142399513

IUPAC1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]pyrimidine-2,4-dione
SMILESCN1CCC(NNCCCCCn2ccc(=O)[nH]c2=O)(c2ccc(F)c(OCC3CC3)c2)CC1
InChIInChI=1S/C25H36FN5O3/c1-30-15-10-25(11-16-30,20-7-8-21(26)22(17-20)34-18-19-5-6-19)29-27-12-3-2-4-13-31-14-9-23(32)28-24(31)33/h7-9,14,17,19,27,29H,2-6,10-13,15-16,18H2,1H3,(H,28,32,33)
InChIKeyLAXNVYMGXAZLMK-UHFFFAOYSA-N
MW473.59 g/mol
LogP2.35
Rot. Bonds12

About 1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]pyrimidine-2,4-dione

1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]pyrimidine-2,4-dione (PubChem CID 142399513) has the molecular formula C25H36FN5O3 and a molecular weight of 473.59 g/mol. Its IUPAC name is 1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]pyrimidine-2,4-dione
PubChem CID142399513
Molecular FormulaC25H36FN5O3
Molecular Weight473.59 g/mol
Exact Mass473.28
IUPAC Name1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]pyrimidine-2,4-dione
SMILESCN1CCC(NNCCCCCn2ccc(=O)[nH]c2=O)(c2ccc(F)c(OCC3CC3)c2)CC1
InChIInChI=1S/C25H36FN5O3/c1-30-15-10-25(11-16-30,20-7-8-21(26)22(17-20)34-18-19-5-6-19)29-27-12-3-2-4-13-31-14-9-23(32)28-24(31)33/h7-9,14,17,19,27,29H,2-6,10-13,15-16,18H2,1H3,(H,28,32,33)
InChIKeyLAXNVYMGXAZLMK-UHFFFAOYSA-N
XLogP2.35
TPSA91.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.59
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360581
1-[5-[2-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]azetidin-3-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360872
4-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]hydrazinyl]butan-1-amine
CID 142360229
1-[7-[[(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]ethyl]amino]-6-oxoheptyl]pyrimidine-2,4-dione
CID 135220291
N-[2-[3-(cyclopropylmethoxy)-4-fluorophenyl]-4-(methylamino)butan-2-yl]-5-(2,4-dioxopyrimidin-1-yl)pentane-1-sulfonamide
CID 146352754
1-[5-[2-[1-[3-(cyclopropylmethoxy)phenyl]propyl]hydrazinyl]pentyl]pyrimidine-2,4-dione
CID 142399595
1-[4-[3-[(1S)-1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-hydroxyethyl]-5-ethynyltriazol-4-yl]butyl]pyrimidine-2,4-dione
CID 46181526
1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]amino]sulfanylpentyl]imidazolidine-2,4-dione
CID 145227574
1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360249
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 134541362
N-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]-5-(5,5-dimethyl-2-oxo-4-sulfanylideneimidazolidin-1-yl)pentane-1-sulfonamide
CID 134553826
1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]-1,3-diazinane-2,4-dione
CID 142399677

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]pyrimidine-2,4-dione (CID 142399513) is 1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]pyrimidine-2,4-dione is CN1CCC(NNCCCCCn2ccc(=O)[nH]c2=O)(c2ccc(F)c(OCC3CC3)c2)CC1.
What is the InChIKey of 1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]pyrimidine-2,4-dione?
The InChIKey is LAXNVYMGXAZLMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36FN5O3/c1-30-15-10-25(11-16-30,20-7-8-21(26)22(17-20)34-18-19-5-6-19)29-27-12-3-2-4-13-31-14-9-23(32)28-24(31)33/h7-9,14,17,19,27,29H,2-6,10-13,15-16,18H2,1H3,(H,28,32,33).
What are the key properties of 1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]pyrimidine-2,4-dione?
1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]pyrimidine-2,4-dione has a molecular weight of 473.59 g/mol, XLogP of 2.35, 12 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]pyrimidine-2,4-dione is sourced from PubChem (CID 142399513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).