cyclopropane;[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(1H-indol-7-yl)methanone

C28H34FN3O — CID 142015086

IUPACcyclopropane;[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(1H-indol-7-yl)methanone
SMILESC1CC1.O=C(c1cccc2cc[nH]c12)N1CCC(CN2CCC(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C25H28FN3O.C3H6/c26-22-6-4-19(5-7-22)20-10-13-28(14-11-20)16-18-9-15-29(17-18)25(30)23-3-1-2-21-8-12-27-24(21)23;1-2-3-1/h1-8,12,18,20,27H,9-11,13-17H2;1-3H2
InChIKeyJWUWNGVXUFHMNL-UHFFFAOYSA-N
MW447.60 g/mol
LogP5.82
Rot. Bonds4

About cyclopropane;[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(1H-indol-7-yl)methanone

cyclopropane;[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(1H-indol-7-yl)methanone (PubChem CID 142015086) has the molecular formula C28H34FN3O and a molecular weight of 447.60 g/mol. Its IUPAC name is cyclopropane;[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(1H-indol-7-yl)methanone.

Molecular Properties

Compound Namecyclopropane;[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(1H-indol-7-yl)methanone
PubChem CID142015086
Molecular FormulaC28H34FN3O
Molecular Weight447.60 g/mol
Exact Mass447.27
IUPAC Namecyclopropane;[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(1H-indol-7-yl)methanone
SMILESC1CC1.O=C(c1cccc2cc[nH]c12)N1CCC(CN2CCC(c3ccc(F)cc3)CC2)C1
InChIInChI=1S/C25H28FN3O.C3H6/c26-22-6-4-19(5-7-22)20-10-13-28(14-11-20)16-18-9-15-29(17-18)25(30)23-3-1-2-21-8-12-27-24(21)23;1-2-3-1/h1-8,12,18,20,27H,9-11,13-17H2;1-3H2
InChIKeyJWUWNGVXUFHMNL-UHFFFAOYSA-N
XLogP5.82
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.60
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 142014913
[3-ethenyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(1H-indol-7-yl)methanone
CID 18723513
(2,3-dimethylphenyl)-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 142015382
[(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone;propan-1-ol
CID 142014920
[(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone;prop-2-en-1-ol
CID 142014921
[(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-naphthalen-1-ylmethanone;2-phenylethanol
CID 142014941
[(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-[1-(3-methoxypropyl)indol-7-yl]methanone
CID 142015036
[(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(2-methyl-1,3-benzoxazol-7-yl)methanone;thiophene
CID 142015184
[(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(2-methyl-1,3-benzoxazol-4-yl)methanone;thiophene
CID 142015525
3,9-diazabicyclo[4.2.1]nonan-3-yl(1H-indol-7-yl)methanone
CID 115313973
(3S)-N-(cyclopropylmethyl)-1-(1H-indole-7-carbonyl)piperidine-3-carboxamide
CID 96559322
5H-benzo[7]annulen-6-yl-[(3R)-3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]methanone
CID 142014961

Frequently Asked Questions

What is the IUPAC name of cyclopropane;[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(1H-indol-7-yl)methanone?
The IUPAC name of cyclopropane;[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(1H-indol-7-yl)methanone (CID 142015086) is cyclopropane;[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(1H-indol-7-yl)methanone.
What is the SMILES notation for cyclopropane;[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(1H-indol-7-yl)methanone?
The canonical SMILES for cyclopropane;[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(1H-indol-7-yl)methanone is C1CC1.O=C(c1cccc2cc[nH]c12)N1CCC(CN2CCC(c3ccc(F)cc3)CC2)C1.
What is the InChIKey of cyclopropane;[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(1H-indol-7-yl)methanone?
The InChIKey is JWUWNGVXUFHMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O.C3H6/c26-22-6-4-19(5-7-22)20-10-13-28(14-11-20)16-18-9-15-29(17-18)25(30)23-3-1-2-21-8-12-27-24(21)23;1-2-3-1/h1-8,12,18,20,27H,9-11,13-17H2;1-3H2.
What are the key properties of cyclopropane;[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(1H-indol-7-yl)methanone?
cyclopropane;[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(1H-indol-7-yl)methanone has a molecular weight of 447.60 g/mol, XLogP of 5.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-1-yl]-(1H-indol-7-yl)methanone is sourced from PubChem (CID 142015086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).