azepan-4-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone

C15H28N2O2 — CID 122569705

IUPACazepan-4-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCCC1CCN(C(=O)C2CCCNCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-19-12-7-13-5-10-17(11-6-13)15(18)14-3-2-8-16-9-4-14/h13-14,16H,2-12H2,1H3
InChIKeySMNJLFFCXBLSTK-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.65
Rot. Bonds4

About azepan-4-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone

azepan-4-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone (PubChem CID 122569705) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is azepan-4-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Nameazepan-4-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
PubChem CID122569705
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Nameazepan-4-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
SMILESCOCCC1CCN(C(=O)C2CCCNCC2)CC1
InChIInChI=1S/C15H28N2O2/c1-19-12-7-13-5-10-17(11-6-13)15(18)14-3-2-8-16-9-4-14/h13-14,16H,2-12H2,1H3
InChIKeySMNJLFFCXBLSTK-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-methoxyethyl)piperidin-1-yl]-(3-methylcyclobutyl)methanone
CID 156719806
[4-(3-methylbutyl)piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119345602
azepan-4-yl-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 131891807
(4-ethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129798
methyl 3-[1-[4-(piperidine-4-carbonylamino)cyclohexanecarbonyl]piperidin-4-yl]propanoate
CID 67802926
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-piperidin-4-ylmethanone
CID 129394437
cyclopentyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97487110
[4-[(dimethylamino)methyl]piperidin-1-yl]-piperidin-3-ylmethanone
CID 54874476
3-cyclohexyl-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one
CID 119300396
cyclohexyl-[(3S)-3-(2-methoxyethyl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97487114
[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]-piperidin-4-ylmethanone;hydrochloride
CID 119275901
(4-tert-butylpiperidin-1-yl)-piperidin-4-ylmethanone;hydrochloride
CID 119311368

Frequently Asked Questions

What is the IUPAC name of azepan-4-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The IUPAC name of azepan-4-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone (CID 122569705) is azepan-4-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone.
What is the SMILES notation for azepan-4-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The canonical SMILES for azepan-4-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone is COCCC1CCN(C(=O)C2CCCNCC2)CC1.
What is the InChIKey of azepan-4-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
The InChIKey is SMNJLFFCXBLSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-19-12-7-13-5-10-17(11-6-13)15(18)14-3-2-8-16-9-4-14/h13-14,16H,2-12H2,1H3.
What are the key properties of azepan-4-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone?
azepan-4-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone has a molecular weight of 268.40 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-4-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 122569705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).