2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone

C17H31N3O3 — CID 120798264

IUPAC2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
SMILESNC(C(=O)N1CCC(CN2CCOCC2)CC1)C1CCOCC1
InChIInChI=1S/C17H31N3O3/c18-16(15-3-9-22-10-4-15)17(21)20-5-1-14(2-6-20)13-19-7-11-23-12-8-19/h14-16H,1-13,18H2
InChIKeyHCFBNKLARSLFNR-UHFFFAOYSA-N
MW325.45 g/mol
LogP0.31
Rot. Bonds4

About 2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone

2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone (PubChem CID 120798264) has the molecular formula C17H31N3O3 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
PubChem CID120798264
Molecular FormulaC17H31N3O3
Molecular Weight325.45 g/mol
Exact Mass325.24
IUPAC Name2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone
SMILESNC(C(=O)N1CCC(CN2CCOCC2)CC1)C1CCOCC1
InChIInChI=1S/C17H31N3O3/c18-16(15-3-9-22-10-4-15)17(21)20-5-1-14(2-6-20)13-19-7-11-23-12-8-19/h14-16H,1-13,18H2
InChIKeyHCFBNKLARSLFNR-UHFFFAOYSA-N
XLogP0.31
TPSA68.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(oxan-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 120801010
2-amino-2-(oxan-4-yl)-1-[3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone;dihydrochloride
CID 120801009
2-amino-2-cyclopentyl-1-morpholin-4-ylethanone
CID 54288734
2-amino-2-(oxan-4-yl)-1-[4-(phenoxymethyl)piperidin-1-yl]ethanone
CID 120789992
2-amino-1-(4-cyclopentyloxypiperidin-1-yl)-2-(oxan-4-yl)ethanone
CID 120791276
cyclopropyl-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 60773958
2-amino-1-[4-(2-ethoxyethyl)piperazin-1-yl]-2-(oxan-4-yl)ethanone
CID 120797730
2-amino-2-cyclopropyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60964191
[1-(aminomethyl)cyclopropyl]-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 115452907
(2S)-2-amino-4-methyl-1-[4-(oxan-4-ylmethyl)piperazin-1-yl]pentan-1-one;dihydrochloride
CID 119886581
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]propan-1-one
CID 60773954
3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 110284682

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone?
The IUPAC name of 2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone (CID 120798264) is 2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone?
The canonical SMILES for 2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone is NC(C(=O)N1CCC(CN2CCOCC2)CC1)C1CCOCC1.
What is the InChIKey of 2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone?
The InChIKey is HCFBNKLARSLFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O3/c18-16(15-3-9-22-10-4-15)17(21)20-5-1-14(2-6-20)13-19-7-11-23-12-8-19/h14-16H,1-13,18H2.
What are the key properties of 2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone?
2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone has a molecular weight of 325.45 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 120798264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).