[3-(diethylamino)pyrrolidin-1-yl]-(5-methylpiperazin-2-yl)methanone

C14H28N4O — CID 63524790

IUPAC[3-(diethylamino)pyrrolidin-1-yl]-(5-methylpiperazin-2-yl)methanone
SMILESCCN(CC)C1CCN(C(=O)C2CNC(C)CN2)C1
InChIInChI=1S/C14H28N4O/c1-4-17(5-2)12-6-7-18(10-12)14(19)13-9-15-11(3)8-16-13/h11-13,15-16H,4-10H2,1-3H3
InChIKeyFFUHECSNRGTKBA-UHFFFAOYSA-N
MW268.40 g/mol
LogP-0.12
Rot. Bonds4

About [3-(diethylamino)pyrrolidin-1-yl]-(5-methylpiperazin-2-yl)methanone

[3-(diethylamino)pyrrolidin-1-yl]-(5-methylpiperazin-2-yl)methanone (PubChem CID 63524790) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is [3-(diethylamino)pyrrolidin-1-yl]-(5-methylpiperazin-2-yl)methanone.

Molecular Properties

Compound Name[3-(diethylamino)pyrrolidin-1-yl]-(5-methylpiperazin-2-yl)methanone
PubChem CID63524790
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name[3-(diethylamino)pyrrolidin-1-yl]-(5-methylpiperazin-2-yl)methanone
SMILESCCN(CC)C1CCN(C(=O)C2CNC(C)CN2)C1
InChIInChI=1S/C14H28N4O/c1-4-17(5-2)12-6-7-18(10-12)14(19)13-9-15-11(3)8-16-13/h11-13,15-16H,4-10H2,1-3H3
InChIKeyFFUHECSNRGTKBA-UHFFFAOYSA-N
XLogP-0.12
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(diethylamino)pyrrolidin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 63166761
[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-methylpiperazin-2-yl)methanone
CID 55178611
(3,4-dimethylpyrrolidin-1-yl)-(5-methylpiperazin-2-yl)methanone
CID 79180783
(5-methylpiperazin-2-yl)-piperidin-1-ylmethanone
CID 63103119
4-[3-(diethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 63782669
2-[3-(diethylamino)pyrrolidin-1-yl]-2-oxoacetic acid
CID 63175274
2-[3-(diethylamino)pyrrolidine-1-carbonyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390981
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[3-(diethylamino)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119843254
3-azabicyclo[3.3.1]nonan-3-yl-(5-methylpiperazin-2-yl)methanone
CID 114196496
[4-(2-hydroxyethyl)piperazin-1-yl]-(5-methylpiperazin-2-yl)methanone
CID 55177070
[3-(diethylamino)pyrrolidin-1-yl]-(1-propan-2-ylpyrrolidin-2-yl)methanone
CID 154844605
3-azaspiro[5.5]undecan-3-yl-(5-methylpiperazin-2-yl)methanone
CID 63103852

Frequently Asked Questions

What is the IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-(5-methylpiperazin-2-yl)methanone?
The IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-(5-methylpiperazin-2-yl)methanone (CID 63524790) is [3-(diethylamino)pyrrolidin-1-yl]-(5-methylpiperazin-2-yl)methanone.
What is the SMILES notation for [3-(diethylamino)pyrrolidin-1-yl]-(5-methylpiperazin-2-yl)methanone?
The canonical SMILES for [3-(diethylamino)pyrrolidin-1-yl]-(5-methylpiperazin-2-yl)methanone is CCN(CC)C1CCN(C(=O)C2CNC(C)CN2)C1.
What is the InChIKey of [3-(diethylamino)pyrrolidin-1-yl]-(5-methylpiperazin-2-yl)methanone?
The InChIKey is FFUHECSNRGTKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-4-17(5-2)12-6-7-18(10-12)14(19)13-9-15-11(3)8-16-13/h11-13,15-16H,4-10H2,1-3H3.
What are the key properties of [3-(diethylamino)pyrrolidin-1-yl]-(5-methylpiperazin-2-yl)methanone?
[3-(diethylamino)pyrrolidin-1-yl]-(5-methylpiperazin-2-yl)methanone has a molecular weight of 268.40 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diethylamino)pyrrolidin-1-yl]-(5-methylpiperazin-2-yl)methanone is sourced from PubChem (CID 63524790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).