[3-[(3-ethylazetidin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone

C17H24N2O — CID 177347278

IUPAC[3-[(3-ethylazetidin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCCC1CN(Cc2cccc(C(=O)N3CCCC3)c2)C1
InChIInChI=1S/C17H24N2O/c1-2-14-11-18(12-14)13-15-6-5-7-16(10-15)17(20)19-8-3-4-9-19/h5-7,10,14H,2-4,8-9,11-13H2,1H3
InChIKeyDPUPTCMATWXBJG-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.76
Rot. Bonds4

About [3-[(3-ethylazetidin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone

[3-[(3-ethylazetidin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 177347278) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is [3-[(3-ethylazetidin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[(3-ethylazetidin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID177347278
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name[3-[(3-ethylazetidin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESCCC1CN(Cc2cccc(C(=O)N3CCCC3)c2)C1
InChIInChI=1S/C17H24N2O/c1-2-14-11-18(12-14)13-15-6-5-7-16(10-15)17(20)19-8-3-4-9-19/h5-7,10,14H,2-4,8-9,11-13H2,1H3
InChIKeyDPUPTCMATWXBJG-UHFFFAOYSA-N
XLogP2.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 10828160
[3-[(3-hydroxypiperidin-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 60527564
azepan-1-yl-(3-ethylphenyl)methanone
CID 59382478
(4-aminopiperidin-1-yl)-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119376092
[3-(hydroxymethyl)piperidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 110904757
[3-(piperazin-1-ylmethyl)phenyl]-piperidin-1-ylmethanone
CID 10755739
[3-(aminomethyl)phenyl]-(3-ethylpiperidin-1-yl)methanone
CID 43584058
[3-(methylaminomethyl)piperidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119398103
1,4-diazepan-1-yl-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 119417788
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone
CID 119486463
[3-(aminomethyl)pyrrolidin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 119486462
(3-hydroxypiperidin-1-yl)-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 111536594

Frequently Asked Questions

What is the IUPAC name of [3-[(3-ethylazetidin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-[(3-ethylazetidin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone (CID 177347278) is [3-[(3-ethylazetidin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-[(3-ethylazetidin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-[(3-ethylazetidin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone is CCC1CN(Cc2cccc(C(=O)N3CCCC3)c2)C1.
What is the InChIKey of [3-[(3-ethylazetidin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is DPUPTCMATWXBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-2-14-11-18(12-14)13-15-6-5-7-16(10-15)17(20)19-8-3-4-9-19/h5-7,10,14H,2-4,8-9,11-13H2,1H3.
What are the key properties of [3-[(3-ethylazetidin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone?
[3-[(3-ethylazetidin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 272.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-ethylazetidin-1-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 177347278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).