2-[3,4-dihydro-2H-chromen-4-yl(methyl)amino]-1-piperazin-1-ylethanone

C16H23N3O2 — CID 61017517

IUPAC2-[3,4-dihydro-2H-chromen-4-yl(methyl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)C1CCOc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-18(12-16(20)19-9-7-17-8-10-19)14-6-11-21-15-5-3-2-4-13(14)15/h2-5,14,17H,6-12H2,1H3
InChIKeyNRPTUMNQOOZBIC-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.87
Rot. Bonds3

About 2-[3,4-dihydro-2H-chromen-4-yl(methyl)amino]-1-piperazin-1-ylethanone

2-[3,4-dihydro-2H-chromen-4-yl(methyl)amino]-1-piperazin-1-ylethanone (PubChem CID 61017517) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[3,4-dihydro-2H-chromen-4-yl(methyl)amino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[3,4-dihydro-2H-chromen-4-yl(methyl)amino]-1-piperazin-1-ylethanone
PubChem CID61017517
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[3,4-dihydro-2H-chromen-4-yl(methyl)amino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)C1CCOc2ccccc21
InChIInChI=1S/C16H23N3O2/c1-18(12-16(20)19-9-7-17-8-10-19)14-6-11-21-15-5-3-2-4-13(14)15/h2-5,14,17H,6-12H2,1H3
InChIKeyNRPTUMNQOOZBIC-UHFFFAOYSA-N
XLogP0.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-1-piperazin-1-ylethanone
CID 61017757
2-[methyl(2,3,4,5-tetrahydro-1H-2-benzazepin-5-yl)amino]-1-pyrrolidin-1-ylethanone
CID 103983282
2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone
CID 43611217
1-[2-[3,4-dihydro-2H-chromene-4-carbonyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 119236272
N-(3,4-dihydro-2H-chromen-4-yl)-2-methoxy-N-methylacetamide
CID 134794474
2-[methyl(1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-piperazin-1-ylethanone
CID 61018808
1-(3,4-dihydro-2H-chromen-4-yl)-3-(2,2-dimethylpropyl)-1-methylurea
CID 110750879
[(4R)-3,4-dihydro-2H-chromen-4-yl]-[(2S)-2-methylpiperazin-1-yl]methanone
CID 124556470
N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-phenylacetamide
CID 119915329
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 111425138
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-N-methylpiperazine-2-carboxamide
CID 104769023
1-(3,4-dihydro-2H-chromen-4-ylmethyl)-2,2-dimethylpiperazine
CID 104768693

Frequently Asked Questions

What is the IUPAC name of 2-[3,4-dihydro-2H-chromen-4-yl(methyl)amino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[3,4-dihydro-2H-chromen-4-yl(methyl)amino]-1-piperazin-1-ylethanone (CID 61017517) is 2-[3,4-dihydro-2H-chromen-4-yl(methyl)amino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[3,4-dihydro-2H-chromen-4-yl(methyl)amino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[3,4-dihydro-2H-chromen-4-yl(methyl)amino]-1-piperazin-1-ylethanone is CN(CC(=O)N1CCNCC1)C1CCOc2ccccc21.
What is the InChIKey of 2-[3,4-dihydro-2H-chromen-4-yl(methyl)amino]-1-piperazin-1-ylethanone?
The InChIKey is NRPTUMNQOOZBIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18(12-16(20)19-9-7-17-8-10-19)14-6-11-21-15-5-3-2-4-13(14)15/h2-5,14,17H,6-12H2,1H3.
What are the key properties of 2-[3,4-dihydro-2H-chromen-4-yl(methyl)amino]-1-piperazin-1-ylethanone?
2-[3,4-dihydro-2H-chromen-4-yl(methyl)amino]-1-piperazin-1-ylethanone has a molecular weight of 289.38 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-dihydro-2H-chromen-4-yl(methyl)amino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 61017517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).