4-[2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetyl]piperazin-2-one

C18H23N3O2 — CID 56821521

IUPAC4-[2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CN(C2CC2)C2CCc3ccccc32)CCN1
InChIInChI=1S/C18H23N3O2/c22-17-11-20(10-9-19-17)18(23)12-21(14-6-7-14)16-8-5-13-3-1-2-4-15(13)16/h1-4,14,16H,5-12H2,(H,19,22)
InChIKeyRNALRQPLCOJEKY-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.10
Rot. Bonds4

About 4-[2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetyl]piperazin-2-one

4-[2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetyl]piperazin-2-one (PubChem CID 56821521) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 4-[2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetyl]piperazin-2-one
PubChem CID56821521
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name4-[2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetyl]piperazin-2-one
SMILESO=C1CN(C(=O)CN(C2CC2)C2CCc3ccccc32)CCN1
InChIInChI=1S/C18H23N3O2/c22-17-11-20(10-9-19-17)18(23)12-21(14-6-7-14)16-8-5-13-3-1-2-4-15(13)16/h1-4,14,16H,5-12H2,(H,19,22)
InChIKeyRNALRQPLCOJEKY-UHFFFAOYSA-N
XLogP1.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetyl]piperazin-2-one with MolForge

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Related Compounds

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N-(1,2,3,5,6,7-Hexahydro-s-indacen-1-yl)-1-piperidineacetamide hydrochloride
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CID 11166263
(2S)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(2S)-3,3-dimethyl-2-[(2S)-2-(methylamino)propanamido]butanoyl]pyrrolidine-2-carboxamide
CID 11750738
N-[2-(1-benzylpiperidin-4-yl)ethyl]-2-(2,3-dihydro-1H-inden-1-ylamino)acetamide
CID 23644771
N-(2,3-dihydro-1H-inden-2-yl)-2-(3-oxo-2-piperazinyl)acetamide
CID 2814083
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2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 5136453
(3S)-N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 7554104
(3S)-N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 7620272
(3S)-N-[2-(cyclopentylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
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N-[1-(2,3-dihydro-1H-inden-2-yl)piperidin-3-yl]but-2-ynamide
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Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetyl]piperazin-2-one?
The IUPAC name of 4-[2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetyl]piperazin-2-one (CID 56821521) is 4-[2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetyl]piperazin-2-one.
What is the SMILES notation for 4-[2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetyl]piperazin-2-one?
The canonical SMILES for 4-[2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetyl]piperazin-2-one is O=C1CN(C(=O)CN(C2CC2)C2CCc3ccccc32)CCN1.
What is the InChIKey of 4-[2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetyl]piperazin-2-one?
The InChIKey is RNALRQPLCOJEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-17-11-20(10-9-19-17)18(23)12-21(14-6-7-14)16-8-5-13-3-1-2-4-15(13)16/h1-4,14,16H,5-12H2,(H,19,22).
What are the key properties of 4-[2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetyl]piperazin-2-one?
4-[2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetyl]piperazin-2-one has a molecular weight of 313.40 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopropyl(2,3-dihydro-1H-inden-1-yl)amino]acetyl]piperazin-2-one is sourced from PubChem (CID 56821521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).