1-morpholin-4-yl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-1-one

C16H31N3O2 — CID 79705244

IUPAC1-morpholin-4-yl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-1-one
SMILESCC(C)N(CC1CCNCC1)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C16H31N3O2/c1-13(2)19(12-15-4-6-17-7-5-15)14(3)16(20)18-8-10-21-11-9-18/h13-15,17H,4-12H2,1-3H3
InChIKeyYQDTZIQKYMFLAE-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.94
Rot. Bonds5

About 1-morpholin-4-yl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-1-one

1-morpholin-4-yl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-1-one (PubChem CID 79705244) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-1-one
PubChem CID79705244
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-morpholin-4-yl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-1-one
SMILESCC(C)N(CC1CCNCC1)C(C)C(=O)N1CCOCC1
InChIInChI=1S/C16H31N3O2/c1-13(2)19(12-15-4-6-17-7-5-15)14(3)16(20)18-8-10-21-11-9-18/h13-15,17H,4-12H2,1-3H3
InChIKeyYQDTZIQKYMFLAE-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

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Related Compounds

2-[3-hydroxypropyl(propan-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 62021785
2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 79716618
N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 16768057
N-(1-morpholin-4-yl-1-oxopropan-2-yl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119757780
2-[piperidin-4-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 79714399
2,3-dimethyl-1-morpholin-4-yl-4-piperazin-1-ylbutane-1,4-dione
CID 173096762
2-[piperidin-2-ylmethyl(propan-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106632109
2-[cyclobutyl(2-hydroxyethyl)amino]-1-morpholin-4-ylpropan-1-one
CID 102870010
2-(oxan-4-yl)-1-piperazin-1-ylpropan-1-one
CID 83709619
2-[cyclopropylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 61441341
1-(2-methylmorpholin-4-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]ethanone
CID 79705094
ethyl 3-[piperidin-4-ylmethyl(propan-2-yl)amino]butanoate
CID 79715051

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-1-one (CID 79705244) is 1-morpholin-4-yl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-1-one is CC(C)N(CC1CCNCC1)C(C)C(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-1-one?
The InChIKey is YQDTZIQKYMFLAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-13(2)19(12-15-4-6-17-7-5-15)14(3)16(20)18-8-10-21-11-9-18/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 1-morpholin-4-yl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-1-one?
1-morpholin-4-yl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-1-one 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-morpholin-4-yl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-1-one is sourced from PubChem (CID 79705244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).