2-(cyclopropylmethylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone

C16H28N4O3 — CID 119834260

IUPAC2-(cyclopropylmethylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
SMILESO=C(CNCC1CC1)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H28N4O3/c21-15(12-17-11-14-1-2-14)19-5-3-18(4-6-19)13-16(22)20-7-9-23-10-8-20/h14,17H,1-13H2
InChIKeyOTRHLCASOGSQTK-UHFFFAOYSA-N
MW324.43 g/mol
LogP-1.01
Rot. Bonds6

About 2-(cyclopropylmethylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone

2-(cyclopropylmethylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone (PubChem CID 119834260) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
PubChem CID119834260
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name2-(cyclopropylmethylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
SMILESO=C(CNCC1CC1)N1CCN(CC(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H28N4O3/c21-15(12-17-11-14-1-2-14)19-5-3-18(4-6-19)13-16(22)20-7-9-23-10-8-20/h14,17H,1-13H2
InChIKeyOTRHLCASOGSQTK-UHFFFAOYSA-N
XLogP-1.01
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 5-1.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethylamino)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 119833979
2-(cyclopropylmethylamino)-1-(1,4-oxazepan-4-yl)ethanone;hydrochloride
CID 119734607
2-(cyclohexylmethylamino)-1-morpholin-4-ylethanone
CID 21468665
2-(cyclopropylmethylamino)-1-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone;dihydrochloride
CID 119836717
2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propan-2-ylacetamide;dihydrochloride
CID 119833895
2-(4-aminopiperidin-1-yl)-1-morpholin-4-ylethanone;dihydrochloride
CID 56773516
2-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]-N-propylacetamide
CID 60937146
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone
CID 119834264
2-(cyclopropylmethylamino)-1-(4-prop-2-ynylpiperazin-1-yl)ethanone
CID 54873746
3-[4-[2-(cyclopropylmethylamino)acetyl]piperazin-1-yl]propanoic acid
CID 61161794
methyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
CID 55505875
2-[4-(2-methylpropyl)piperidin-1-yl]-1-morpholin-4-ylethanone
CID 145317208

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(cyclopropylmethylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone (CID 119834260) is 2-(cyclopropylmethylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone is O=C(CNCC1CC1)N1CCN(CC(=O)N2CCOCC2)CC1.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone?
The InChIKey is OTRHLCASOGSQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c21-15(12-17-11-14-1-2-14)19-5-3-18(4-6-19)13-16(22)20-7-9-23-10-8-20/h14,17H,1-13H2.
What are the key properties of 2-(cyclopropylmethylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone?
2-(cyclopropylmethylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone has a molecular weight of 324.43 g/mol, XLogP of -1.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 119834260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).