1-[4-[[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]pyrrolidin-2-one

C20H29N3O2 — CID 78788446

IUPAC1-[4-[[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]pyrrolidin-2-one
SMILESCCC1CCCCN1C(=O)C(C)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H29N3O2/c1-3-17-7-4-5-13-23(17)20(25)15(2)21-16-9-11-18(12-10-16)22-14-6-8-19(22)24/h9-12,15,17,21H,3-8,13-14H2,1-2H3
InChIKeyBIARTIUKXQEUAI-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.40
Rot. Bonds5

About 1-[4-[[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]pyrrolidin-2-one

1-[4-[[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]pyrrolidin-2-one (PubChem CID 78788446) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-[4-[[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]pyrrolidin-2-one
PubChem CID78788446
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-[4-[[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]pyrrolidin-2-one
SMILESCCC1CCCCN1C(=O)C(C)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C20H29N3O2/c1-3-17-7-4-5-13-23(17)20(25)15(2)21-16-9-11-18(12-10-16)22-14-6-8-19(22)24/h9-12,15,17,21H,3-8,13-14H2,1-2H3
InChIKeyBIARTIUKXQEUAI-UHFFFAOYSA-N
XLogP3.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylanilino)-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 78786224
1-[4-(2-ethylpyrrolidine-1-carbonyl)phenyl]pyrrolidin-2-one
CID 110619098
N-[4-[[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 78839433
1-[4-(1-cyclopentylethylamino)phenyl]pyrrolidin-2-one
CID 62632450
(2R)-N-(2-methylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 25328467
1-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 119649565
N-(2-fluorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17493498
4-[[(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanoyl]amino]benzamide
CID 8967594
(2R)-2-[4-(2-oxopyrrolidin-1-yl)anilino]-N-[4-(trifluoromethyl)phenyl]propanamide
CID 8967599
N-(4-methoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 17494587
1-[4-(hexan-3-ylamino)phenyl]pyrrolidin-2-one
CID 103930966
(2S)-N-benzyl-N-methyl-2-[4-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 8967422

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]pyrrolidin-2-one (CID 78788446) is 1-[4-[[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]pyrrolidin-2-one is CCC1CCCCN1C(=O)C(C)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of 1-[4-[[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]pyrrolidin-2-one?
The InChIKey is BIARTIUKXQEUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-3-17-7-4-5-13-23(17)20(25)15(2)21-16-9-11-18(12-10-16)22-14-6-8-19(22)24/h9-12,15,17,21H,3-8,13-14H2,1-2H3.
What are the key properties of 1-[4-[[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]pyrrolidin-2-one?
1-[4-[[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]pyrrolidin-2-one has a molecular weight of 343.47 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]amino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 78788446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).