[3-(ethylamino)-1-methylpyrrolidin-3-yl]-piperazin-1-ylmethanone

C12H24N4O — CID 82511434

IUPAC[3-(ethylamino)-1-methylpyrrolidin-3-yl]-piperazin-1-ylmethanone
SMILESCCNC1(C(=O)N2CCNCC2)CCN(C)C1
InChIInChI=1S/C12H24N4O/c1-3-14-12(4-7-15(2)10-12)11(17)16-8-5-13-6-9-16/h13-14H,3-10H2,1-2H3
InChIKeyKTZMUEVMZFLYPS-UHFFFAOYSA-N
MW240.35 g/mol
LogP-0.90
Rot. Bonds3

About [3-(ethylamino)-1-methylpyrrolidin-3-yl]-piperazin-1-ylmethanone

[3-(ethylamino)-1-methylpyrrolidin-3-yl]-piperazin-1-ylmethanone (PubChem CID 82511434) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is [3-(ethylamino)-1-methylpyrrolidin-3-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[3-(ethylamino)-1-methylpyrrolidin-3-yl]-piperazin-1-ylmethanone
PubChem CID82511434
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name[3-(ethylamino)-1-methylpyrrolidin-3-yl]-piperazin-1-ylmethanone
SMILESCCNC1(C(=O)N2CCNCC2)CCN(C)C1
InChIInChI=1S/C12H24N4O/c1-3-14-12(4-7-15(2)10-12)11(17)16-8-5-13-6-9-16/h13-14H,3-10H2,1-2H3
InChIKeyKTZMUEVMZFLYPS-UHFFFAOYSA-N
XLogP-0.90
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-methyl-4-(methylamino)piperidin-4-yl]-piperazin-1-ylmethanone
CID 82511413
[4-(methylamino)piperidin-4-yl]-piperazin-1-ylmethanone
CID 82509909
N-ethylpiperazine-1-carboxamide
CID 9207783
(1-ethoxycyclopropyl)-piperazin-1-ylmethanone
CID 155895636
tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(piperazine-1-carbonyl)piperidine-1-carboxylate
CID 166109885
(6-methyl-6-azaspiro[3.4]octan-2-yl)-piperazin-1-ylmethanone
CID 156836708
(4-ethylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 55176815
(1-aminocyclopentyl)-piperazin-1-ylmethanone
CID 60868287
1-methyl-3-(piperazin-1-ylmethyl)pyrrolidin-3-ol
CID 82506013
(1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone
CID 59716936
piperazin-1-yl-(3-propylpyrrolidin-3-yl)methanone
CID 63139032
1-[1-tert-butyl-4-(ethylamino)piperidin-4-yl]ethanone
CID 129060789

Frequently Asked Questions

What is the IUPAC name of [3-(ethylamino)-1-methylpyrrolidin-3-yl]-piperazin-1-ylmethanone?
The IUPAC name of [3-(ethylamino)-1-methylpyrrolidin-3-yl]-piperazin-1-ylmethanone (CID 82511434) is [3-(ethylamino)-1-methylpyrrolidin-3-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [3-(ethylamino)-1-methylpyrrolidin-3-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [3-(ethylamino)-1-methylpyrrolidin-3-yl]-piperazin-1-ylmethanone is CCNC1(C(=O)N2CCNCC2)CCN(C)C1.
What is the InChIKey of [3-(ethylamino)-1-methylpyrrolidin-3-yl]-piperazin-1-ylmethanone?
The InChIKey is KTZMUEVMZFLYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-3-14-12(4-7-15(2)10-12)11(17)16-8-5-13-6-9-16/h13-14H,3-10H2,1-2H3.
What are the key properties of [3-(ethylamino)-1-methylpyrrolidin-3-yl]-piperazin-1-ylmethanone?
[3-(ethylamino)-1-methylpyrrolidin-3-yl]-piperazin-1-ylmethanone has a molecular weight of 240.35 g/mol, XLogP of -0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(ethylamino)-1-methylpyrrolidin-3-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 82511434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).