4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one

C19H28N4O2 — CID 120749928

IUPAC4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
SMILESCN(C)CCN1CC(C(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)CC1=O
InChIInChI=1S/C19H28N4O2/c1-21(2)8-9-22-11-15(10-18(22)24)19(25)23-12-16(17(20)13-23)14-6-4-3-5-7-14/h3-7,15-17H,8-13,20H2,1-2H3/t15?,16-,17+/m0/s1
InChIKeyKKXMAOGGDSDGSI-LRUHZDSUSA-N
MW344.46 g/mol
LogP0.35
Rot. Bonds5

About 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one

4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one (PubChem CID 120749928) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
PubChem CID120749928
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
SMILESCN(C)CCN1CC(C(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)CC1=O
InChIInChI=1S/C19H28N4O2/c1-21(2)8-9-22-11-15(10-18(22)24)19(25)23-12-16(17(20)13-23)14-6-4-3-5-7-14/h3-7,15-17H,8-13,20H2,1-2H3/t15?,16-,17+/m0/s1
InChIKeyKKXMAOGGDSDGSI-LRUHZDSUSA-N
XLogP0.35
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-ethylpyrrolidin-2-one;hydrochloride
CID 120746956
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one;hydrochloride
CID 120746954
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 120747956
1-[2-(dimethylamino)ethyl]-4-(2-phenylpyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 74235101
(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95128434
(4S)-1-[2-(dimethylamino)ethyl]-4-[3-(2-ethylphenoxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 97209081
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 120819697
1-[4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 120749109
[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 72875520
4-[(3R,4R)-3-(aminomethyl)-4-phenylpyrrolidine-1-carbonyl]-1-methylpiperidin-2-one;hydrochloride
CID 120742550
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-(1H-pyrazol-4-yl)pyrrolidin-2-one;hydrochloride
CID 120748845
1-[2-(dimethylamino)ethyl]-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113182849

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one (CID 120749928) is 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one is CN(C)CCN1CC(C(=O)N2C[C@@H](N)[C@H](c3ccccc3)C2)CC1=O.
What is the InChIKey of 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one?
The InChIKey is KKXMAOGGDSDGSI-LRUHZDSUSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-21(2)8-9-22-11-15(10-18(22)24)19(25)23-12-16(17(20)13-23)14-6-4-3-5-7-14/h3-7,15-17H,8-13,20H2,1-2H3/t15?,16-,17+/m0/s1.
What are the key properties of 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one?
4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one has a molecular weight of 344.46 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 120749928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).