1-[3-oxo-3-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one

C21H29N3O2 — CID 95726224

IUPAC1-[3-oxo-3-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1
InChIInChI=1S/C21H29N3O2/c25-20-6-3-10-23(20)11-9-21(26)24-14-12-22(13-15-24)19-8-7-17-4-1-2-5-18(17)16-19/h1-2,4-5,19H,3,6-16H2/t19-/m0/s1
InChIKeySXNWYTCUISINQU-IBGZPJMESA-N
MW355.48 g/mol
LogP1.70
Rot. Bonds4

About 1-[3-oxo-3-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one

1-[3-oxo-3-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one (PubChem CID 95726224) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 1-[3-oxo-3-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-oxo-3-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one
PubChem CID95726224
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name1-[3-oxo-3-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1
InChIInChI=1S/C21H29N3O2/c25-20-6-3-10-23(20)11-9-21(26)24-14-12-22(13-15-24)19-8-7-17-4-1-2-5-18(17)16-19/h1-2,4-5,19H,3,6-16H2/t19-/m0/s1
InChIKeySXNWYTCUISINQU-IBGZPJMESA-N
XLogP1.70
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-oxo-2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]ethyl]pyrrolidin-2-one
CID 56883257
3-pyridin-4-yl-1-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propan-1-one
CID 95709460
N-[3-oxo-3-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]methanesulfonamide
CID 95728525
4-[2-oxo-2-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethyl]-1,2-dihydropyridazine-3,6-dione
CID 99944895
1-[4-[4-(oxan-4-yl)piperazin-1-yl]-4-oxobutyl]pyrrolidin-2-one
CID 131949700
3-[1-(1,2,3,4-tetrahydronaphthalen-2-yl)piperidin-4-yl]propanoic acid
CID 65059978
3-(2-amino-1,3-thiazol-4-yl)-1-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]propan-1-one
CID 56900936
2-[[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1-carbonyl]amino]acetic acid
CID 126434125
2-[4-(1,2,3,4-tetrahydronaphthalen-2-yl)piperazin-1-yl]acetic acid
CID 56701450
(3S)-3-(2-fluorophenyl)-1-methyl-3-[2-oxo-2-[4-[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]ethyl]pyrrolidine-2,5-dione
CID 26276806
1-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 118773140
1-[3-oxo-3-(4-phenylazepan-1-yl)propyl]azepan-2-one
CID 131898933

Frequently Asked Questions

What is the IUPAC name of 1-[3-oxo-3-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-oxo-3-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one (CID 95726224) is 1-[3-oxo-3-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-oxo-3-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-oxo-3-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one is O=C1CCCN1CCC(=O)N1CCN([C@H]2CCc3ccccc3C2)CC1.
What is the InChIKey of 1-[3-oxo-3-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one?
The InChIKey is SXNWYTCUISINQU-IBGZPJMESA-N. The full InChI is InChI=1S/C21H29N3O2/c25-20-6-3-10-23(20)11-9-21(26)24-14-12-22(13-15-24)19-8-7-17-4-1-2-5-18(17)16-19/h1-2,4-5,19H,3,6-16H2/t19-/m0/s1.
What are the key properties of 1-[3-oxo-3-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one?
1-[3-oxo-3-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one has a molecular weight of 355.48 g/mol, XLogP of 1.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-oxo-3-[4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazin-1-yl]propyl]pyrrolidin-2-one is sourced from PubChem (CID 95726224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).