3-amino-2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one

C20H30N4O3 — CID 119840042

IUPAC3-amino-2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCC(C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C(N)c1ccccc1
InChIInChI=1S/C20H30N4O3/c1-16(19(21)17-5-3-2-4-6-17)20(26)24-9-7-23(8-10-24)18(25)15-22-11-13-27-14-12-22/h2-6,16,19H,7-15,21H2,1H3
InChIKeyIWVYUGOMHTUNBB-UHFFFAOYSA-N
MW374.49 g/mol
LogP0.33
Rot. Bonds5

About 3-amino-2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one

3-amino-2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 119840042) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-amino-2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID119840042
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name3-amino-2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCC(C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C(N)c1ccccc1
InChIInChI=1S/C20H30N4O3/c1-16(19(21)17-5-3-2-4-6-17)20(26)24-9-7-23(8-10-24)18(25)15-22-11-13-27-14-12-22/h2-6,16,19H,7-15,21H2,1H3
InChIKeyIWVYUGOMHTUNBB-UHFFFAOYSA-N
XLogP0.33
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-methyl-3-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 119876007
3-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119952905
(2R)-2-amino-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]propan-1-one
CID 119840052
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylacetamide
CID 51075038
2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-phenylacetamide
CID 119840848
3-amino-2-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119687542
3-amino-2-methyl-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 119897518
(2S,3S)-3-amino-1-(azocan-1-yl)-2-methyl-3-phenylpropan-1-one
CID 99627539
3-amino-1-(4-benzoylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 119683429
3-amino-2-methyl-3-phenyl-1-(4-prop-2-enylpiperazin-1-yl)propan-1-one
CID 80549933
2-[4-(3-amino-2-methyl-3-phenylpropanoyl)piperazin-1-yl]-N-benzylacetamide;dihydrochloride
CID 119840173
3-amino-1-(4-benzoylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one;hydrochloride
CID 119683428

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 3-amino-2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one (CID 119840042) is 3-amino-2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one is CC(C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)C(N)c1ccccc1.
What is the InChIKey of 3-amino-2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is IWVYUGOMHTUNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-16(19(21)17-5-3-2-4-6-17)20(26)24-9-7-23(8-10-24)18(25)15-22-11-13-27-14-12-22/h2-6,16,19H,7-15,21H2,1H3.
What are the key properties of 3-amino-2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one?
3-amino-2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 374.49 g/mol, XLogP of 0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 119840042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).