2-methyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]propanenitrile

C15H26N4O2 — CID 60681866

IUPAC2-methyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]propanenitrile
SMILESCC(C(=O)N1CCOCC1)N1CCN(C(C)(C)C#N)CC1
InChIInChI=1S/C15H26N4O2/c1-13(14(20)18-8-10-21-11-9-18)17-4-6-19(7-5-17)15(2,3)12-16/h13H,4-11H2,1-3H3
InChIKeyAHKCAONEPPJNEQ-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.15
Rot. Bonds3

About 2-methyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]propanenitrile

2-methyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]propanenitrile (PubChem CID 60681866) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-methyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]propanenitrile
PubChem CID60681866
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name2-methyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]propanenitrile
SMILESCC(C(=O)N1CCOCC1)N1CCN(C(C)(C)C#N)CC1
InChIInChI=1S/C15H26N4O2/c1-13(14(20)18-8-10-21-11-9-18)17-4-6-19(7-5-17)15(2,3)12-16/h13H,4-11H2,1-3H3
InChIKeyAHKCAONEPPJNEQ-UHFFFAOYSA-N
XLogP0.15
TPSA59.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-methylpropanamide
CID 60681867
2-(4-hydroxypiperidin-1-yl)-1-morpholin-4-ylpropan-1-one
CID 60638552
1-morpholin-4-yl-2-piperazin-1-ylpropan-1-one;dihydrochloride
CID 50988307
4-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)-1,4-diazepan-1-yl]benzonitrile
CID 56815669
2-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 78808588
5,6-dimethyl-3-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133279892
2-[4-(2-cyanopropan-2-yl)piperazin-1-yl]-N-(3-methoxypropyl)propanamide
CID 60722482
4-(2-cyanopropan-2-yl)-N,N-diethylpiperazine-1-carboxamide
CID 79161762
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 78786208
(2E,4E)-1-[4-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]piperazin-1-yl]hexa-2,4-dien-1-one
CID 95621245
2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 46614351
2-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylpropan-1-one
CID 43252712

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]propanenitrile?
The IUPAC name of 2-methyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]propanenitrile (CID 60681866) is 2-methyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-methyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-methyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]propanenitrile is CC(C(=O)N1CCOCC1)N1CCN(C(C)(C)C#N)CC1.
What is the InChIKey of 2-methyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]propanenitrile?
The InChIKey is AHKCAONEPPJNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-13(14(20)18-8-10-21-11-9-18)17-4-6-19(7-5-17)15(2,3)12-16/h13H,4-11H2,1-3H3.
What are the key properties of 2-methyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]propanenitrile?
2-methyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]propanenitrile has a molecular weight of 294.40 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-(1-morpholin-4-yl-1-oxopropan-2-yl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 60681866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).