1-(4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea

C23H25F2N3O — CID 132972779

IUPAC1-(4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)NC1C2Cc3cc(F)ccc3C21
InChIInChI=1S/C23H25F2N3O/c24-16-3-1-14(2-4-16)13-28-9-7-18(8-10-28)26-23(29)27-22-20-12-15-11-17(25)5-6-19(15)21(20)22/h1-6,11,18,20-22H,7-10,12-13H2,(H2,26,27,29)
InChIKeyFHQRSTPMLDDYOM-UHFFFAOYSA-N
MW397.47 g/mol
LogP3.57
Rot. Bonds4

About 1-(4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea

1-(4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea (PubChem CID 132972779) has the molecular formula C23H25F2N3O and a molecular weight of 397.47 g/mol. Its IUPAC name is 1-(4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-(4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea
PubChem CID132972779
Molecular FormulaC23H25F2N3O
Molecular Weight397.47 g/mol
Exact Mass397.20
IUPAC Name1-(4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea
SMILESO=C(NC1CCN(Cc2ccc(F)cc2)CC1)NC1C2Cc3cc(F)ccc3C21
InChIInChI=1S/C23H25F2N3O/c24-16-3-1-14(2-4-16)13-28-9-7-18(8-10-28)26-23(29)27-22-20-12-15-11-17(25)5-6-19(15)21(20)22/h1-6,11,18,20-22H,7-10,12-13H2,(H2,26,27,29)
InChIKeyFHQRSTPMLDDYOM-UHFFFAOYSA-N
XLogP3.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea with MolForge

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Related Compounds

1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(4-methylcyclohexyl)urea
CID 87034548
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(2-hydroxycyclohexyl)urea
CID 110933322
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-(oxan-3-yl)urea
CID 138998311
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
2,2,2-trifluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 126711751
1-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-[(1S,2S)-2-(hydroxymethyl)cyclopentyl]urea
CID 95930533
1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
CID 972217
2,2-difluoro-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]propanamide
CID 158389196
2-(3,4-dimethoxyphenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]acetamide
CID 55959801
N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]-4-fluorobenzamide
CID 10134420
1-amino-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]cyclopentane-1-carboxamide;dihydrochloride
CID 119844644
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 39959483

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea?
The IUPAC name of 1-(4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea (CID 132972779) is 1-(4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-(4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea?
The canonical SMILES for 1-(4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea is O=C(NC1CCN(Cc2ccc(F)cc2)CC1)NC1C2Cc3cc(F)ccc3C21.
What is the InChIKey of 1-(4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea?
The InChIKey is FHQRSTPMLDDYOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O/c24-16-3-1-14(2-4-16)13-28-9-7-18(8-10-28)26-23(29)27-22-20-12-15-11-17(25)5-6-19(15)21(20)22/h1-6,11,18,20-22H,7-10,12-13H2,(H2,26,27,29).
What are the key properties of 1-(4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea?
1-(4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea has a molecular weight of 397.47 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]urea is sourced from PubChem (CID 132972779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).