1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-3-methylurea

C23H28FN3O — CID 23504874

IUPAC1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-3-methylurea
SMILESCNC(=O)Nc1ccc2c(c1)C(CN1CCC(c3ccc(F)cc3)CC1)CC2
InChIInChI=1S/C23H28FN3O/c1-25-23(28)26-21-9-6-18-2-3-19(22(18)14-21)15-27-12-10-17(11-13-27)16-4-7-20(24)8-5-16/h4-9,14,17,19H,2-3,10-13,15H2,1H3,(H2,25,26,28)
InChIKeyWMLHDVKHCPMORH-UHFFFAOYSA-N
MW381.50 g/mol
LogP4.49
Rot. Bonds4

About 1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-3-methylurea

1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-3-methylurea (PubChem CID 23504874) has the molecular formula C23H28FN3O and a molecular weight of 381.50 g/mol. Its IUPAC name is 1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-3-methylurea.

Molecular Properties

Compound Name1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-3-methylurea
PubChem CID23504874
Molecular FormulaC23H28FN3O
Molecular Weight381.50 g/mol
Exact Mass381.22
IUPAC Name1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-3-methylurea
SMILESCNC(=O)Nc1ccc2c(c1)C(CN1CCC(c3ccc(F)cc3)CC1)CC2
InChIInChI=1S/C23H28FN3O/c1-25-23(28)26-21-9-6-18-2-3-19(22(18)14-21)15-27-12-10-17(11-13-27)16-4-7-20(24)8-5-16/h4-9,14,17,19H,2-3,10-13,15H2,1H3,(H2,25,26,28)
InChIKeyWMLHDVKHCPMORH-UHFFFAOYSA-N
XLogP4.49
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

S-(dimethylamino) N-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]carbamothioate
CID 23504883
N-[3-[[4-(4-aminophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
CID 23504889
N-[3-[[4-[4-(dimethylamino)phenyl]piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
CID 23504860
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine
CID 23504807
N-[3-[(4-thiophen-2-ylpiperidin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
CID 23504875
N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
CID 23504826
N-[3-[[4-(6-chloro-1-benzothiophen-3-yl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
CID 23504859
N-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
CID 23504823
(E)-but-2-enedioic acid;3-[1-[(6-chloro-2,3-dihydro-1H-inden-1-yl)methyl]piperidin-4-yl]-5-fluoro-1H-indole
CID 18545878
1-[(5R)-3-[2-[5-(4-fluorophenyl)-2,2-dimethylpyrrolidin-1-yl]-2-oxoethyl]-2,4-dioxospiro[1,3-oxazolidine-5,1'-2,3-dihydroindene]-5'-yl]-3-methylurea
CID 146633775
1-[(1R,3S)-3-[[4-(4-chlorophenyl)piperidin-1-yl]methyl]cyclopentyl]-3-(3,5-difluorophenyl)urea
CID 25009535
2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 172892735

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-3-methylurea?
The IUPAC name of 1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-3-methylurea (CID 23504874) is 1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-3-methylurea.
What is the SMILES notation for 1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-3-methylurea?
The canonical SMILES for 1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-3-methylurea is CNC(=O)Nc1ccc2c(c1)C(CN1CCC(c3ccc(F)cc3)CC1)CC2.
What is the InChIKey of 1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-3-methylurea?
The InChIKey is WMLHDVKHCPMORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O/c1-25-23(28)26-21-9-6-18-2-3-19(22(18)14-21)15-27-12-10-17(11-13-27)16-4-7-20(24)8-5-16/h4-9,14,17,19H,2-3,10-13,15H2,1H3,(H2,25,26,28).
What are the key properties of 1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-3-methylurea?
1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-3-methylurea has a molecular weight of 381.50 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-3-methylurea is sourced from PubChem (CID 23504874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).