(4R)-1-butyl-4-[(2S)-2-ethylpiperidine-1-carbonyl]pyrrolidin-2-one

C16H28N2O2 — CID 9398270

IUPAC(4R)-1-butyl-4-[(2S)-2-ethylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCCCN1C[C@H](C(=O)N2CCCC[C@@H]2CC)CC1=O
InChIInChI=1S/C16H28N2O2/c1-3-5-9-17-12-13(11-15(17)19)16(20)18-10-7-6-8-14(18)4-2/h13-14H,3-12H2,1-2H3/t13-,14+/m1/s1
InChIKeyHPRUWAKYUSHWJT-KGLIPLIRSA-N
MW280.41 g/mol
LogP2.43
Rot. Bonds5

About (4R)-1-butyl-4-[(2S)-2-ethylpiperidine-1-carbonyl]pyrrolidin-2-one

(4R)-1-butyl-4-[(2S)-2-ethylpiperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 9398270) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is (4R)-1-butyl-4-[(2S)-2-ethylpiperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-butyl-4-[(2S)-2-ethylpiperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID9398270
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name(4R)-1-butyl-4-[(2S)-2-ethylpiperidine-1-carbonyl]pyrrolidin-2-one
SMILESCCCCN1C[C@H](C(=O)N2CCCC[C@@H]2CC)CC1=O
InChIInChI=1S/C16H28N2O2/c1-3-5-9-17-12-13(11-15(17)19)16(20)18-10-7-6-8-14(18)4-2/h13-14H,3-12H2,1-2H3/t13-,14+/m1/s1
InChIKeyHPRUWAKYUSHWJT-KGLIPLIRSA-N
XLogP2.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-butyl-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 17082528
4-(2-methylpiperidine-1-carbonyl)-1-pentylpyrrolidin-2-one
CID 24720700
4-(2-ethylpiperidine-1-carbonyl)-1-prop-2-enylpyrrolidin-2-one
CID 113181988
(4S)-1-butyl-4-[(3S)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 27186995
(4R)-1-butyl-4-(4-methylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9398589
1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 82042052
methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 94069422
1-(3,5-dichlorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 113191158
(3S)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 7711163
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
sodium 1-butyl-5-oxopyrrolidine-3-carboxylate
CID 23662544
N,1-dibutyl-5-oxopyrrolidine-3-carboxamide
CID 17082476

Frequently Asked Questions

What is the IUPAC name of (4R)-1-butyl-4-[(2S)-2-ethylpiperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-butyl-4-[(2S)-2-ethylpiperidine-1-carbonyl]pyrrolidin-2-one (CID 9398270) is (4R)-1-butyl-4-[(2S)-2-ethylpiperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-butyl-4-[(2S)-2-ethylpiperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-butyl-4-[(2S)-2-ethylpiperidine-1-carbonyl]pyrrolidin-2-one is CCCCN1C[C@H](C(=O)N2CCCC[C@@H]2CC)CC1=O.
What is the InChIKey of (4R)-1-butyl-4-[(2S)-2-ethylpiperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is HPRUWAKYUSHWJT-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-5-9-17-12-13(11-15(17)19)16(20)18-10-7-6-8-14(18)4-2/h13-14H,3-12H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of (4R)-1-butyl-4-[(2S)-2-ethylpiperidine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-butyl-4-[(2S)-2-ethylpiperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 280.41 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-butyl-4-[(2S)-2-ethylpiperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 9398270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).