1-(2-methylmorpholin-4-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]ethanone

C16H31N3O2 — CID 79705094

IUPAC1-(2-methylmorpholin-4-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]ethanone
SMILESCC1CN(C(=O)CN(CC2CCNCC2)C(C)C)CCO1
InChIInChI=1S/C16H31N3O2/c1-13(2)19(11-15-4-6-17-7-5-15)12-16(20)18-8-9-21-14(3)10-18/h13-15,17H,4-12H2,1-3H3
InChIKeyWWJKKYGNSWGMPX-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.94
Rot. Bonds5

About 1-(2-methylmorpholin-4-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]ethanone

1-(2-methylmorpholin-4-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]ethanone (PubChem CID 79705094) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-(2-methylmorpholin-4-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-(2-methylmorpholin-4-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]ethanone
PubChem CID79705094
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-(2-methylmorpholin-4-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]ethanone
SMILESCC1CN(C(=O)CN(CC2CCNCC2)C(C)C)CCO1
InChIInChI=1S/C16H31N3O2/c1-13(2)19(11-15-4-6-17-7-5-15)12-16(20)18-8-9-21-14(3)10-18/h13-15,17H,4-12H2,1-3H3
InChIKeyWWJKKYGNSWGMPX-UHFFFAOYSA-N
XLogP0.94
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylmorpholin-4-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]ethanone with MolForge

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Related Compounds

1-(2-methylmorpholin-4-yl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanone
CID 106614579
4-[[2-(2-methylmorpholin-4-yl)-2-oxoethyl]-propan-2-ylamino]butanoic acid
CID 60834906
1-(2-methylmorpholin-4-yl)-3-piperidin-4-ylbutan-1-one
CID 119698730
1-(2-methylmorpholin-4-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
CID 106636635
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-1-(2-methylmorpholin-4-yl)ethanone
CID 106639754
1-(2-methylmorpholin-4-yl)-2-piperidin-4-yloxyethanone
CID 63877566
2-[cyclopropyl(3-methylbutyl)amino]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 94061744
2-[cyclopropyl(3-methylbutyl)amino]-1-(2-methylmorpholin-4-yl)ethanone
CID 47025083
2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 79713998
2-[(4-aminocyclohexyl)-ethylamino]-1-(2-methylmorpholin-4-yl)ethanone
CID 79116387
1-(2-methylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119698721
N-(3-methylbutan-2-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]acetamide
CID 79714649

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylmorpholin-4-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]ethanone?
The IUPAC name of 1-(2-methylmorpholin-4-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]ethanone (CID 79705094) is 1-(2-methylmorpholin-4-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]ethanone.
What is the SMILES notation for 1-(2-methylmorpholin-4-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]ethanone?
The canonical SMILES for 1-(2-methylmorpholin-4-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]ethanone is CC1CN(C(=O)CN(CC2CCNCC2)C(C)C)CCO1.
What is the InChIKey of 1-(2-methylmorpholin-4-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]ethanone?
The InChIKey is WWJKKYGNSWGMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-13(2)19(11-15-4-6-17-7-5-15)12-16(20)18-8-9-21-14(3)10-18/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 1-(2-methylmorpholin-4-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]ethanone?
1-(2-methylmorpholin-4-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]ethanone has a molecular weight of 297.44 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylmorpholin-4-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 79705094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).