[4-(3-aminopropoxy)piperidin-1-yl]-(3,4-dihydro-2H-chromen-3-yl)methanone

C18H26N2O3 — CID 119664571

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-(3,4-dihydro-2H-chromen-3-yl)methanone
SMILESNCCCOC1CCN(C(=O)C2COc3ccccc3C2)CC1
InChIInChI=1S/C18H26N2O3/c19-8-3-11-22-16-6-9-20(10-7-16)18(21)15-12-14-4-1-2-5-17(14)23-13-15/h1-2,4-5,15-16H,3,6-13,19H2
InChIKeyUEDQTQSPQCVWCN-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.59
Rot. Bonds5

About [4-(3-aminopropoxy)piperidin-1-yl]-(3,4-dihydro-2H-chromen-3-yl)methanone

[4-(3-aminopropoxy)piperidin-1-yl]-(3,4-dihydro-2H-chromen-3-yl)methanone (PubChem CID 119664571) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-(3,4-dihydro-2H-chromen-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-(3,4-dihydro-2H-chromen-3-yl)methanone
PubChem CID119664571
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-(3,4-dihydro-2H-chromen-3-yl)methanone
SMILESNCCCOC1CCN(C(=O)C2COc3ccccc3C2)CC1
InChIInChI=1S/C18H26N2O3/c19-8-3-11-22-16-6-9-20(10-7-16)18(21)15-12-14-4-1-2-5-17(14)23-13-15/h1-2,4-5,15-16H,3,6-13,19H2
InChIKeyUEDQTQSPQCVWCN-UHFFFAOYSA-N
XLogP1.59
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[(3S)-3,4-dihydro-2H-chromen-3-yl]-(4-phenylmethoxypiperidin-1-yl)methanone
CID 129367014
3,4-dihydro-2H-chromen-3-yl-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]methanone
CID 70773170
3,4-dihydro-2H-chromen-3-yl-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 63589640
[(3R)-3,4-dihydro-2H-chromen-3-yl]-morpholin-4-ylmethanone
CID 26794764
[4-(3-aminopropoxy)piperidin-1-yl]-(2-methyl-2,3-dihydro-1,4-benzodioxin-3-yl)methanone
CID 119662439
3,4-dihydro-2H-chromen-3-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 22578087
3,4-dihydro-2H-chromen-3-yl(piperazin-1-yl)methanone
CID 63565455
[4-(3-aminopropoxy)piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 79732328
(4-benzoylpiperazin-1-yl)-[(3S)-3,4-dihydro-2H-chromen-3-yl]methanone
CID 51925423
phenyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79736999
3,4-dihydro-2H-chromen-3-yl-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126887564
3,4-dihydro-2H-chromen-3-yl-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900916

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(3,4-dihydro-2H-chromen-3-yl)methanone?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(3,4-dihydro-2H-chromen-3-yl)methanone (CID 119664571) is [4-(3-aminopropoxy)piperidin-1-yl]-(3,4-dihydro-2H-chromen-3-yl)methanone.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-(3,4-dihydro-2H-chromen-3-yl)methanone?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-(3,4-dihydro-2H-chromen-3-yl)methanone is NCCCOC1CCN(C(=O)C2COc3ccccc3C2)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-(3,4-dihydro-2H-chromen-3-yl)methanone?
The InChIKey is UEDQTQSPQCVWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c19-8-3-11-22-16-6-9-20(10-7-16)18(21)15-12-14-4-1-2-5-17(14)23-13-15/h1-2,4-5,15-16H,3,6-13,19H2.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-(3,4-dihydro-2H-chromen-3-yl)methanone?
[4-(3-aminopropoxy)piperidin-1-yl]-(3,4-dihydro-2H-chromen-3-yl)methanone has a molecular weight of 318.42 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-(3,4-dihydro-2H-chromen-3-yl)methanone is sourced from PubChem (CID 119664571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).