1-ethyl-4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyrrolidin-2-one

C18H27N3O2 — CID 56715047

IUPAC1-ethyl-4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyrrolidin-2-one
SMILESCCN1CC(NC2CCN(c3ccc(OC)cc3)CC2)CC1=O
InChIInChI=1S/C18H27N3O2/c1-3-20-13-15(12-18(20)22)19-14-8-10-21(11-9-14)16-4-6-17(23-2)7-5-16/h4-7,14-15,19H,3,8-13H2,1-2H3
InChIKeyGRYTXOTZIOURPD-UHFFFAOYSA-N
MW317.43 g/mol
LogP1.87
Rot. Bonds5

About 1-ethyl-4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyrrolidin-2-one

1-ethyl-4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyrrolidin-2-one (PubChem CID 56715047) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 1-ethyl-4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-ethyl-4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyrrolidin-2-one
PubChem CID56715047
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name1-ethyl-4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyrrolidin-2-one
SMILESCCN1CC(NC2CCN(c3ccc(OC)cc3)CC2)CC1=O
InChIInChI=1S/C18H27N3O2/c1-3-20-13-15(12-18(20)22)19-14-8-10-21(11-9-14)16-4-6-17(23-2)7-5-16/h4-7,14-15,19H,3,8-13H2,1-2H3
InChIKeyGRYTXOTZIOURPD-UHFFFAOYSA-N
XLogP1.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 42210577
4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 45235933
(3R)-3-(cyclopropylamino)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 822055
1-(4-methoxyphenyl)piperidin-4-amine;hydrochloride
CID 57363410
2-(4-methoxyphenyl)-N-[4-[4-(oxolan-3-ylamino)piperidin-1-yl]phenyl]acetamide
CID 45182245
4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7163162
6-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyridine-3-carbaldehyde
CID 167863799
(4S)-4-[(1-ethylpiperidin-4-yl)amino]-1-[2-(4-fluorophenyl)ethyl]pyrrolidin-2-one
CID 25292865
(3S)-1-ethyl-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]pyrrolidine-2,5-dione
CID 6956177
3-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004298
1-[1-(4-methoxyphenyl)piperidin-4-yl]ethanamine
CID 139509898
1-(4-methoxyphenyl)piperidine
CID 10130315

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyrrolidin-2-one?
The IUPAC name of 1-ethyl-4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyrrolidin-2-one (CID 56715047) is 1-ethyl-4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-ethyl-4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-ethyl-4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyrrolidin-2-one is CCN1CC(NC2CCN(c3ccc(OC)cc3)CC2)CC1=O.
What is the InChIKey of 1-ethyl-4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyrrolidin-2-one?
The InChIKey is GRYTXOTZIOURPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-3-20-13-15(12-18(20)22)19-14-8-10-21(11-9-14)16-4-6-17(23-2)7-5-16/h4-7,14-15,19H,3,8-13H2,1-2H3.
What are the key properties of 1-ethyl-4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyrrolidin-2-one?
1-ethyl-4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyrrolidin-2-one has a molecular weight of 317.43 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[1-(4-methoxyphenyl)piperidin-4-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 56715047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).