3-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride

C19H27ClN4O3 — CID 119783871

IUPAC3-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
SMILESCl.O=C(C1CC(O)CN1)N1CCN(C2CCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C19H26N4O3.ClH/c24-15-12-16(20-13-15)18(25)22-10-8-21(9-11-22)17-6-7-23(19(17)26)14-4-2-1-3-5-14;/h1-5,15-17,20,24H,6-13H2;1H
InChIKeyKOUJNWHLMDXJKB-UHFFFAOYSA-N
MW394.90 g/mol
LogP0.08
Rot. Bonds3

About 3-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride

3-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride (PubChem CID 119783871) has the molecular formula C19H27ClN4O3 and a molecular weight of 394.90 g/mol. Its IUPAC name is 3-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride.

Molecular Properties

Compound Name3-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
PubChem CID119783871
Molecular FormulaC19H27ClN4O3
Molecular Weight394.90 g/mol
Exact Mass394.18
IUPAC Name3-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
SMILESCl.O=C(C1CC(O)CN1)N1CCN(C2CCN(c3ccccc3)C2=O)CC1
InChIInChI=1S/C19H26N4O3.ClH/c24-15-12-16(20-13-15)18(25)22-10-8-21(9-11-22)17-6-7-23(19(17)26)14-4-2-1-3-5-14;/h1-5,15-17,20,24H,6-13H2;1H
InChIKeyKOUJNWHLMDXJKB-UHFFFAOYSA-N
XLogP0.08
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.90
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(2-aminoacetyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
CID 119323757
(3S)-1-phenyl-3-piperazin-1-ylpyrrolidin-2-one;dihydrochloride
CID 67060834
3-[4-(4-aminobutanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
CID 119323783
3-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 119951477
(4-hydroxypyrrolidin-2-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 60858034
3-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 119323770
3-[4-(2-amino-3-methoxypropanoyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one
CID 120989773
3-[4-(4-methoxypiperidine-4-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride
CID 119783889
[(2S,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-phenylethyl)piperidin-1-yl]methanone
CID 124889673
1-(4-methylphenyl)-3-[4-[(1S,2R,4S,5R)-tricyclo[3.2.1.02,4]octane-3-carbonyl]piperazin-1-yl]pyrrolidin-2-one
CID 167894514
[4-(2,6-difluorobenzoyl)piperazin-1-yl]-(4-hydroxypyrrolidin-2-yl)methanone;hydrochloride
CID 119756686
[(2R,4R)-4-hydroxypyrrolidin-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 125118026

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride?
The IUPAC name of 3-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride (CID 119783871) is 3-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride.
What is the SMILES notation for 3-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride?
The canonical SMILES for 3-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride is Cl.O=C(C1CC(O)CN1)N1CCN(C2CCN(c3ccccc3)C2=O)CC1.
What is the InChIKey of 3-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride?
The InChIKey is KOUJNWHLMDXJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3.ClH/c24-15-12-16(20-13-15)18(25)22-10-8-21(9-11-22)17-6-7-23(19(17)26)14-4-2-1-3-5-14;/h1-5,15-17,20,24H,6-13H2;1H.
What are the key properties of 3-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride?
3-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride has a molecular weight of 394.90 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxypyrrolidine-2-carbonyl)piperazin-1-yl]-1-phenylpyrrolidin-2-one;hydrochloride is sourced from PubChem (CID 119783871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).