[(3S)-1-[1-(9H-fluorene-2-carbonyl)azetidin-3-yl]pyrrolidin-3-yl]-phenylmethanone

C28H26N2O2 — CID 67513120

IUPAC[(3S)-1-[1-(9H-fluorene-2-carbonyl)azetidin-3-yl]pyrrolidin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1CCN(C2CN(C(=O)c3ccc4c(c3)Cc3ccccc3-4)C2)C1
InChIInChI=1S/C28H26N2O2/c31-27(19-6-2-1-3-7-19)22-12-13-29(16-22)24-17-30(18-24)28(32)21-10-11-26-23(15-21)14-20-8-4-5-9-25(20)26/h1-11,15,22,24H,12-14,16-18H2/t22-/m0/s1
InChIKeyPMRXBORDSUAZJB-QFIPXVFZSA-N
MW422.53 g/mol
LogP4.29
Rot. Bonds4

About [(3S)-1-[1-(9H-fluorene-2-carbonyl)azetidin-3-yl]pyrrolidin-3-yl]-phenylmethanone

[(3S)-1-[1-(9H-fluorene-2-carbonyl)azetidin-3-yl]pyrrolidin-3-yl]-phenylmethanone (PubChem CID 67513120) has the molecular formula C28H26N2O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is [(3S)-1-[1-(9H-fluorene-2-carbonyl)azetidin-3-yl]pyrrolidin-3-yl]-phenylmethanone.

Molecular Properties

Compound Name[(3S)-1-[1-(9H-fluorene-2-carbonyl)azetidin-3-yl]pyrrolidin-3-yl]-phenylmethanone
PubChem CID67513120
Molecular FormulaC28H26N2O2
Molecular Weight422.53 g/mol
Exact Mass422.20
IUPAC Name[(3S)-1-[1-(9H-fluorene-2-carbonyl)azetidin-3-yl]pyrrolidin-3-yl]-phenylmethanone
SMILESO=C(c1ccccc1)[C@H]1CCN(C2CN(C(=O)c3ccc4c(c3)Cc3ccccc3-4)C2)C1
InChIInChI=1S/C28H26N2O2/c31-27(19-6-2-1-3-7-19)22-12-13-29(16-22)24-17-30(18-24)28(32)21-10-11-26-23(15-21)14-20-8-4-5-9-25(20)26/h1-11,15,22,24H,12-14,16-18H2/t22-/m0/s1
InChIKeyPMRXBORDSUAZJB-QFIPXVFZSA-N
XLogP4.29
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(9H-fluoren-2-yl)methanone
CID 39878233
(2,6-dimethylmorpholin-4-yl)-(9H-fluoren-2-yl)methanone
CID 71896788
9H-fluoren-2-yl-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanone
CID 171939300
9H-fluoren-2-yl-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 78868858
(3-ethoxypiperidin-1-yl)-(9H-fluoren-2-yl)methanone
CID 47736856
cyclobutyl(9H-fluoren-3-yl)methanone
CID 43337992
[1-(3-aminobenzoyl)piperidin-4-yl]-phenylmethanone
CID 119699757
[3-(9H-fluorene-2-carbonyl)phenyl]-(9H-fluoren-2-yl)methanone
CID 10552019
[4-[1-(4-aminobenzoyl)azetidin-3-yl]piperazin-1-yl]-phenylmethanone
CID 59625892
9H-fluoren-3-yl-[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 25103336
benzyl 3-(9H-fluorene-2-carbonyl)-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171939314
(3S)-1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 51616571

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[1-(9H-fluorene-2-carbonyl)azetidin-3-yl]pyrrolidin-3-yl]-phenylmethanone?
The IUPAC name of [(3S)-1-[1-(9H-fluorene-2-carbonyl)azetidin-3-yl]pyrrolidin-3-yl]-phenylmethanone (CID 67513120) is [(3S)-1-[1-(9H-fluorene-2-carbonyl)azetidin-3-yl]pyrrolidin-3-yl]-phenylmethanone.
What is the SMILES notation for [(3S)-1-[1-(9H-fluorene-2-carbonyl)azetidin-3-yl]pyrrolidin-3-yl]-phenylmethanone?
The canonical SMILES for [(3S)-1-[1-(9H-fluorene-2-carbonyl)azetidin-3-yl]pyrrolidin-3-yl]-phenylmethanone is O=C(c1ccccc1)[C@H]1CCN(C2CN(C(=O)c3ccc4c(c3)Cc3ccccc3-4)C2)C1.
What is the InChIKey of [(3S)-1-[1-(9H-fluorene-2-carbonyl)azetidin-3-yl]pyrrolidin-3-yl]-phenylmethanone?
The InChIKey is PMRXBORDSUAZJB-QFIPXVFZSA-N. The full InChI is InChI=1S/C28H26N2O2/c31-27(19-6-2-1-3-7-19)22-12-13-29(16-22)24-17-30(18-24)28(32)21-10-11-26-23(15-21)14-20-8-4-5-9-25(20)26/h1-11,15,22,24H,12-14,16-18H2/t22-/m0/s1.
What are the key properties of [(3S)-1-[1-(9H-fluorene-2-carbonyl)azetidin-3-yl]pyrrolidin-3-yl]-phenylmethanone?
[(3S)-1-[1-(9H-fluorene-2-carbonyl)azetidin-3-yl]pyrrolidin-3-yl]-phenylmethanone has a molecular weight of 422.53 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[1-(9H-fluorene-2-carbonyl)azetidin-3-yl]pyrrolidin-3-yl]-phenylmethanone is sourced from PubChem (CID 67513120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).