(4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one

C18H25N3O2 — CID 124628195

IUPAC(4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccccc1N1C[C@H](C(=O)N2CCC[C@H](N)C2)CC1=O
InChIInChI=1S/C18H25N3O2/c1-2-13-6-3-4-8-16(13)21-11-14(10-17(21)22)18(23)20-9-5-7-15(19)12-20/h3-4,6,8,14-15H,2,5,7,9-12,19H2,1H3/t14-,15+/m1/s1
InChIKeyUWMFINKLPVAVMZ-CABCVRRESA-N
MW315.42 g/mol
LogP1.55
Rot. Bonds3

About (4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one

(4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one (PubChem CID 124628195) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
PubChem CID124628195
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
SMILESCCc1ccccc1N1C[C@H](C(=O)N2CCC[C@H](N)C2)CC1=O
InChIInChI=1S/C18H25N3O2/c1-2-13-6-3-4-8-16(13)21-11-14(10-17(21)22)18(23)20-9-5-7-15(19)12-20/h3-4,6,8,14-15H,2,5,7,9-12,19H2,1H3/t14-,15+/m1/s1
InChIKeyUWMFINKLPVAVMZ-CABCVRRESA-N
XLogP1.55
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-1-(2-ethylphenyl)-4-(4-methyl-1,4-diazepane-1-carbonyl)pyrrolidin-2-one
CID 97310802
1-[(3R)-1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxylic acid
CID 94830827
4-(4-benzylpiperidine-1-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 17120290
1-(2-ethylphenyl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one
CID 119562077
(4S)-1-(2-ethylphenyl)-4-[4-(2-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 9152431
(4S)-4-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-1-(2-ethylphenyl)pyrrolidin-2-one
CID 35436216
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one
CID 120805051
ethyl 1-[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylate
CID 47005232
4-(3-aminopiperidine-1-carbonyl)-1-(5-chloro-2-methoxyphenyl)pyrrolidin-2-one
CID 119378594
1-[1-(2-ethylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251618
1-(2-bromophenyl)-4-[3-(methylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119395463
1-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 17080667

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one (CID 124628195) is (4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one is CCc1ccccc1N1C[C@H](C(=O)N2CCC[C@H](N)C2)CC1=O.
What is the InChIKey of (4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one?
The InChIKey is UWMFINKLPVAVMZ-CABCVRRESA-N. The full InChI is InChI=1S/C18H25N3O2/c1-2-13-6-3-4-8-16(13)21-11-14(10-17(21)22)18(23)20-9-5-7-15(19)12-20/h3-4,6,8,14-15H,2,5,7,9-12,19H2,1H3/t14-,15+/m1/s1.
What are the key properties of (4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one?
(4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one has a molecular weight of 315.42 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(3S)-3-aminopiperidine-1-carbonyl]-1-(2-ethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 124628195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).