[4-(3-aminopropoxy)piperidin-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone

C20H30N2O4 — CID 119662009

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone
SMILESNCCCOC1CCN(C(=O)c2cccc(OCC3CCCO3)c2)CC1
InChIInChI=1S/C20H30N2O4/c21-9-3-13-24-17-7-10-22(11-8-17)20(23)16-4-1-5-18(14-16)26-15-19-6-2-12-25-19/h1,4-5,14,17,19H,2-3,6-13,15,21H2
InChIKeyVIBSPMNOEYKPJC-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.21
Rot. Bonds8

About [4-(3-aminopropoxy)piperidin-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone

[4-(3-aminopropoxy)piperidin-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone (PubChem CID 119662009) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone
PubChem CID119662009
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone
SMILESNCCCOC1CCN(C(=O)c2cccc(OCC3CCCO3)c2)CC1
InChIInChI=1S/C20H30N2O4/c21-9-3-13-24-17-7-10-22(11-8-17)20(23)16-4-1-5-18(14-16)26-15-19-6-2-12-25-19/h1,4-5,14,17,19H,2-3,6-13,15,21H2
InChIKeyVIBSPMNOEYKPJC-UHFFFAOYSA-N
XLogP2.21
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-aminopropoxy)piperidin-1-yl]-[3-[(3-methylphenyl)methoxy]phenyl]methanone
CID 119664072
[4-(3-aminopropoxy)piperidin-1-yl]-[3-[(3-fluorophenoxy)methyl]phenyl]methanone;hydrochloride
CID 119663088
1,4-diazepan-1-yl-[3-(oxolan-2-ylmethoxy)phenyl]methanone;hydrochloride
CID 119414799
[4-(3-aminopropoxy)piperidin-1-yl]-(3-bromophenyl)methanone
CID 79735516
(4-benzhydrylpiperazin-1-yl)-[3-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
CID 33395478
[4-(3-aminopropoxy)piperidin-1-yl]-(3-iodophenyl)methanone;hydrochloride
CID 119661929
[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124884052
[(3R,4R)-3-hydroxy-4-pyrrolidin-1-ylpyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 97245326
[4-(3-aminopropoxy)piperidin-1-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone;dihydrochloride
CID 119663690
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(oxolan-2-yl)ethanone
CID 79735000
3-[3-[4-(3-aminopropoxy)piperidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
CID 119664640
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone (CID 119662009) is [4-(3-aminopropoxy)piperidin-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone is NCCCOC1CCN(C(=O)c2cccc(OCC3CCCO3)c2)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone?
The InChIKey is VIBSPMNOEYKPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c21-9-3-13-24-17-7-10-22(11-8-17)20(23)16-4-1-5-18(14-16)26-15-19-6-2-12-25-19/h1,4-5,14,17,19H,2-3,6-13,15,21H2.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone?
[4-(3-aminopropoxy)piperidin-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone has a molecular weight of 362.47 g/mol, XLogP of 2.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-[3-(oxolan-2-ylmethoxy)phenyl]methanone is sourced from PubChem (CID 119662009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).