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

C24H36FN5O3 — CID 142360581

IUPAC1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione
SMILESCN1CCC(NNCCCCCN2CC(=O)NC2=O)(c2ccc(F)c(OCC3CC3)c2)CC1
InChIInChI=1S/C24H36FN5O3/c1-29-13-9-24(10-14-29,19-7-8-20(25)21(15-19)33-17-18-5-6-18)28-26-11-3-2-4-12-30-16-22(31)27-23(30)32/h7-8,15,18,26,28H,2-6,9-14,16-17H2,1H3,(H,27,31,32)
InChIKeyQNNRMEYCDALBFG-UHFFFAOYSA-N
MW461.58 g/mol
LogP2.35
Rot. Bonds12

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

1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione (PubChem CID 142360581) has the molecular formula C24H36FN5O3 and a molecular weight of 461.58 g/mol. Its IUPAC name is 1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione
PubChem CID142360581
Molecular FormulaC24H36FN5O3
Molecular Weight461.58 g/mol
Exact Mass461.28
IUPAC Name1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione
SMILESCN1CCC(NNCCCCCN2CC(=O)NC2=O)(c2ccc(F)c(OCC3CC3)c2)CC1
InChIInChI=1S/C24H36FN5O3/c1-29-13-9-24(10-14-29,19-7-8-20(25)21(15-19)33-17-18-5-6-18)28-26-11-3-2-4-12-30-16-22(31)27-23(30)32/h7-8,15,18,26,28H,2-6,9-14,16-17H2,1H3,(H,27,31,32)
InChIKeyQNNRMEYCDALBFG-UHFFFAOYSA-N
XLogP2.35
TPSA85.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.58
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[5-[2-[3-[3-(cyclopropylmethoxy)-4-fluorophenyl]azetidin-3-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360872
1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]pyrimidine-2,4-dione
CID 142399513
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
1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]butyl]hydrazinyl]pentyl]imidazolidine-2,4-dione
CID 142360570
1-[7-[[1-[4-fluoro-3-(2-hydroxy-2-methylpropoxy)phenyl]cyclopropyl]amino]heptyl]imidazolidine-2,4-dione
CID 134553917
1-[5-[[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclobutyl]methylsulfonyl]pentyl]imidazolidine-2,4-dione
CID 149254670
4-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]cyclopropyl]hydrazinyl]butan-1-amine
CID 142360229
1-[5-[2-[1-[3-(cyclopropylmethoxy)-4-fluorophenyl]-2-methylpropyl]hydrazinyl]pentyl]-1,3-diazinane-2,4-dione
CID 142399677
N-[(R)-[3-(cyclopropylmethoxy)-4-fluorophenyl]-(1-methylazetidin-3-yl)methyl]-5-(2,4-dioxoimidazolidin-1-yl)pentane-1-sulfonamide
CID 155370104
3-[3-(cyclopropylmethoxy)-4-fluorophenyl]-3-[5-(2,4-dioxoimidazolidin-1-yl)pentylsulfinylamino]propanoic acid
CID 162531925
1-[5-[[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]piperidin-4-yl]methylsulfonyl]pentyl]-1,3-diazinane-2,4-dione
CID 148703452

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione (CID 142360581) is 1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione is CN1CCC(NNCCCCCN2CC(=O)NC2=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]imidazolidine-2,4-dione?
The InChIKey is QNNRMEYCDALBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36FN5O3/c1-29-13-9-24(10-14-29,19-7-8-20(25)21(15-19)33-17-18-5-6-18)28-26-11-3-2-4-12-30-16-22(31)27-23(30)32/h7-8,15,18,26,28H,2-6,9-14,16-17H2,1H3,(H,27,31,32).
What are the key properties of 1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione?
1-[5-[2-[4-[3-(cyclopropylmethoxy)-4-fluorophenyl]-1-methylpiperidin-4-yl]hydrazinyl]pentyl]imidazolidine-2,4-dione has a molecular weight of 461.58 g/mol, XLogP of 2.35, 12 rotatable bonds, 3 hydrogen bond donors, and 6 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]imidazolidine-2,4-dione is sourced from PubChem (CID 142360581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).