4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one

C20H29N3O2 — CID 119434412

IUPAC4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCC(N)C1CCCCN1C(=O)C1CC(=O)N(C(C)c2ccccc2)C1
InChIInChI=1S/C20H29N3O2/c1-14(21)18-10-6-7-11-22(18)20(25)17-12-19(24)23(13-17)15(2)16-8-4-3-5-9-16/h3-5,8-9,14-15,17-18H,6-7,10-13,21H2,1-2H3
InChIKeyRXYRLHOMINTKFT-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.32
Rot. Bonds4

About 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one

4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one (PubChem CID 119434412) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one
PubChem CID119434412
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one
SMILESCC(N)C1CCCCN1C(=O)C1CC(=O)N(C(C)c2ccccc2)C1
InChIInChI=1S/C20H29N3O2/c1-14(21)18-10-6-7-11-22(18)20(25)17-12-19(24)23(13-17)15(2)16-8-4-3-5-9-16/h3-5,8-9,14-15,17-18H,6-7,10-13,21H2,1-2H3
InChIKeyRXYRLHOMINTKFT-UHFFFAOYSA-N
XLogP2.32
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one;hydrochloride
CID 119592627
(4R)-4-(cyclobutanecarbonyl)-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 21087447
(3S)-1-[(3S)-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 9266562
(3S)-1-[(3R)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 9266561
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 119437039
4-[4-(methylamino)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one;hydrochloride
CID 119559645
4-(5-methoxy-2-methylpiperidine-1-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one
CID 166249196
(4R)-1-[(1R)-1-phenylethyl]-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 7031821
methyl N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]carbamate
CID 108564816
4-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-1-(1-phenylethyl)pyrrolidin-2-one
CID 119634812
2-methyl-N-[5-oxo-1-(1-phenylethyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 108875809
2,2-dichloro-N-[1-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]piperidin-4-yl]acetamide
CID 108564813

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one?
The IUPAC name of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one (CID 119434412) is 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one?
The canonical SMILES for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one is CC(N)C1CCCCN1C(=O)C1CC(=O)N(C(C)c2ccccc2)C1.
What is the InChIKey of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one?
The InChIKey is RXYRLHOMINTKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14(21)18-10-6-7-11-22(18)20(25)17-12-19(24)23(13-17)15(2)16-8-4-3-5-9-16/h3-5,8-9,14-15,17-18H,6-7,10-13,21H2,1-2H3.
What are the key properties of 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one?
4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one has a molecular weight of 343.47 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminoethyl)piperidine-1-carbonyl]-1-(1-phenylethyl)pyrrolidin-2-one is sourced from PubChem (CID 119434412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).