4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one

C18H33N3O2 — CID 119646804

IUPAC4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one
SMILESCCCC(C)N1CC(C(=O)N2CCC(CNCC)CC2)CC1=O
InChIInChI=1S/C18H33N3O2/c1-4-6-14(3)21-13-16(11-17(21)22)18(23)20-9-7-15(8-10-20)12-19-5-2/h14-16,19H,4-13H2,1-3H3
InChIKeyPVXQCCLGNUHVGH-UHFFFAOYSA-N
MW323.48 g/mol
LogP1.87
Rot. Bonds7

About 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one

4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one (PubChem CID 119646804) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one
PubChem CID119646804
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one
SMILESCCCC(C)N1CC(C(=O)N2CCC(CNCC)CC2)CC1=O
InChIInChI=1S/C18H33N3O2/c1-4-6-14(3)21-13-16(11-17(21)22)18(23)20-9-7-15(8-10-20)12-19-5-2/h14-16,19H,4-13H2,1-3H3
InChIKeyPVXQCCLGNUHVGH-UHFFFAOYSA-N
XLogP1.87
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 80552531
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 81485174
1-(3,5-dimethoxyphenyl)-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119648462
1-(3,5-dimethoxyphenyl)-4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119648461
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-[(4-methylphenyl)methyl]pyrrolidin-2-one;hydrochloride
CID 119645946
3,4-dimethoxy-N-[[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]methyl]benzamide
CID 108935278
tert-butyl N-[3-oxo-3-[[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]methylamino]propyl]carbamate
CID 108919297
1-propan-2-yl-4-[4-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 70781458
4-(3-methoxypyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
CID 108754227
3-amino-N-[[1-(5-oxo-1-pentan-2-ylpyrrolidine-3-carbonyl)piperidin-2-yl]methyl]propanamide
CID 120579955
4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one
CID 119538330
2,2-dichloro-N-[1-(5-oxo-1-propan-2-ylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide
CID 108564919

Frequently Asked Questions

What is the IUPAC name of 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one (CID 119646804) is 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one is CCCC(C)N1CC(C(=O)N2CCC(CNCC)CC2)CC1=O.
What is the InChIKey of 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one?
The InChIKey is PVXQCCLGNUHVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-4-6-14(3)21-13-16(11-17(21)22)18(23)20-9-7-15(8-10-20)12-19-5-2/h14-16,19H,4-13H2,1-3H3.
What are the key properties of 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one?
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one has a molecular weight of 323.48 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(ethylaminomethyl)piperidine-1-carbonyl]-1-pentan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 119646804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).