[3-(azepan-1-ylmethyl)piperidin-1-yl]-morpholin-3-ylmethanone

C17H31N3O2 — CID 119875712

IUPAC[3-(azepan-1-ylmethyl)piperidin-1-yl]-morpholin-3-ylmethanone
SMILESO=C(C1COCCN1)N1CCCC(CN2CCCCCC2)C1
InChIInChI=1S/C17H31N3O2/c21-17(16-14-22-11-7-18-16)20-10-5-6-15(13-20)12-19-8-3-1-2-4-9-19/h15-16,18H,1-14H2
InChIKeyUXJNGKOYJJWYCP-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.09
Rot. Bonds3

About [3-(azepan-1-ylmethyl)piperidin-1-yl]-morpholin-3-ylmethanone

[3-(azepan-1-ylmethyl)piperidin-1-yl]-morpholin-3-ylmethanone (PubChem CID 119875712) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is [3-(azepan-1-ylmethyl)piperidin-1-yl]-morpholin-3-ylmethanone.

Molecular Properties

Compound Name[3-(azepan-1-ylmethyl)piperidin-1-yl]-morpholin-3-ylmethanone
PubChem CID119875712
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name[3-(azepan-1-ylmethyl)piperidin-1-yl]-morpholin-3-ylmethanone
SMILESO=C(C1COCCN1)N1CCCC(CN2CCCCCC2)C1
InChIInChI=1S/C17H31N3O2/c21-17(16-14-22-11-7-18-16)20-10-5-6-15(13-20)12-19-8-3-1-2-4-9-19/h15-16,18H,1-14H2
InChIKeyUXJNGKOYJJWYCP-UHFFFAOYSA-N
XLogP1.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-(azepan-1-ylmethyl)piperidin-1-yl]-morpholin-3-ylmethanone with MolForge

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Related Compounds

morpholin-3-yl-[4-(oxolan-3-ylmethyl)piperazin-1-yl]methanone
CID 119897502
[1-(morpholine-3-carbonyl)piperidin-3-yl]-morpholin-4-ylmethanone;hydrochloride
CID 119700492
(3-ethylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 115740814
[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 122081454
cyclohexyl-[4-(morpholine-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119755465
1-(morpholine-3-carbonyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119763218
1-[4-(morpholine-3-carbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone;dihydrochloride
CID 119875990
2-(azepan-1-yl)-1-[3-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
CID 131914309
[(3S)-3-hydroxypyrrolidin-1-yl]-[(3R)-morpholin-3-yl]methanone;hydrochloride
CID 130608601
3-azabicyclo[3.3.1]nonan-3-yl(morpholin-3-yl)methanone
CID 114196397
N,N-diethyl-2-[4-(morpholine-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 119844035
(3-benzylpyrrolidin-1-yl)-morpholin-3-ylmethanone
CID 119725012

Frequently Asked Questions

What is the IUPAC name of [3-(azepan-1-ylmethyl)piperidin-1-yl]-morpholin-3-ylmethanone?
The IUPAC name of [3-(azepan-1-ylmethyl)piperidin-1-yl]-morpholin-3-ylmethanone (CID 119875712) is [3-(azepan-1-ylmethyl)piperidin-1-yl]-morpholin-3-ylmethanone.
What is the SMILES notation for [3-(azepan-1-ylmethyl)piperidin-1-yl]-morpholin-3-ylmethanone?
The canonical SMILES for [3-(azepan-1-ylmethyl)piperidin-1-yl]-morpholin-3-ylmethanone is O=C(C1COCCN1)N1CCCC(CN2CCCCCC2)C1.
What is the InChIKey of [3-(azepan-1-ylmethyl)piperidin-1-yl]-morpholin-3-ylmethanone?
The InChIKey is UXJNGKOYJJWYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c21-17(16-14-22-11-7-18-16)20-10-5-6-15(13-20)12-19-8-3-1-2-4-9-19/h15-16,18H,1-14H2.
What are the key properties of [3-(azepan-1-ylmethyl)piperidin-1-yl]-morpholin-3-ylmethanone?
[3-(azepan-1-ylmethyl)piperidin-1-yl]-morpholin-3-ylmethanone has a molecular weight of 309.45 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(azepan-1-ylmethyl)piperidin-1-yl]-morpholin-3-ylmethanone is sourced from PubChem (CID 119875712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).