2-[cyclopropyl(piperidin-3-ylmethyl)amino]-1-(2-methylmorpholin-4-yl)ethanone

C16H29N3O2 — CID 106639754

IUPAC2-[cyclopropyl(piperidin-3-ylmethyl)amino]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN(CC2CCCNC2)C2CC2)CCO1
InChIInChI=1S/C16H29N3O2/c1-13-10-18(7-8-21-13)16(20)12-19(15-4-5-15)11-14-3-2-6-17-9-14/h13-15,17H,2-12H2,1H3
InChIKeyPYPGTNKNJLFVLY-UHFFFAOYSA-N
MW295.43 g/mol
LogP0.70
Rot. Bonds5

About 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-1-(2-methylmorpholin-4-yl)ethanone

2-[cyclopropyl(piperidin-3-ylmethyl)amino]-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 106639754) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(piperidin-3-ylmethyl)amino]-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID106639754
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-[cyclopropyl(piperidin-3-ylmethyl)amino]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCC1CN(C(=O)CN(CC2CCCNC2)C2CC2)CCO1
InChIInChI=1S/C16H29N3O2/c1-13-10-18(7-8-21-13)16(20)12-19(15-4-5-15)11-14-3-2-6-17-9-14/h13-15,17H,2-12H2,1H3
InChIKeyPYPGTNKNJLFVLY-UHFFFAOYSA-N
XLogP0.70
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylmorpholin-4-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
CID 106636635
2-[(4-aminocyclohexyl)-ethylamino]-1-(2-methylmorpholin-4-yl)ethanone
CID 79116387
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
3-[2-[cyclopropyl(piperidin-3-ylmethyl)amino]acetyl]-1,3-oxazolidin-2-one
CID 106640057
1-(2-methylmorpholin-4-yl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]ethanone
CID 106614579
2-[methyl(piperidin-3-ylmethyl)amino]-1-morpholin-4-ylethanone;hydrochloride
CID 119930321
1-(2-methylmorpholin-4-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119698721
1-(2-methylmorpholin-4-yl)-2-[piperidin-4-ylmethyl(propan-2-yl)amino]ethanone
CID 79705094
1-(4-methylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
CID 106636288
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-N,N-dimethylacetamide
CID 106639825
1-(3,5-dimethylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
CID 106636866

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-1-(2-methylmorpholin-4-yl)ethanone (CID 106639754) is 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-1-(2-methylmorpholin-4-yl)ethanone is CC1CN(C(=O)CN(CC2CCCNC2)C2CC2)CCO1.
What is the InChIKey of 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is PYPGTNKNJLFVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-13-10-18(7-8-21-13)16(20)12-19(15-4-5-15)11-14-3-2-6-17-9-14/h13-15,17H,2-12H2,1H3.
What are the key properties of 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-1-(2-methylmorpholin-4-yl)ethanone?
2-[cyclopropyl(piperidin-3-ylmethyl)amino]-1-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 295.43 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(piperidin-3-ylmethyl)amino]-1-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 106639754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).