2-(4-ethylpiperazin-1-yl)-1-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]ethanone

C21H35N5O — CID 45179784

IUPAC2-(4-ethylpiperazin-1-yl)-1-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]ethanone
SMILESCCN1CCN(CC(=O)N2CCCC(N(C)CCc3ccccn3)C2)CC1
InChIInChI=1S/C21H35N5O/c1-3-24-13-15-25(16-14-24)18-21(27)26-11-6-8-20(17-26)23(2)12-9-19-7-4-5-10-22-19/h4-5,7,10,20H,3,6,8-9,11-18H2,1-2H3
InChIKeySPKVLVJMGDMDQB-UHFFFAOYSA-N
MW373.55 g/mol
LogP1.18
Rot. Bonds7

About 2-(4-ethylpiperazin-1-yl)-1-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]ethanone

2-(4-ethylpiperazin-1-yl)-1-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]ethanone (PubChem CID 45179784) has the molecular formula C21H35N5O and a molecular weight of 373.55 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-1-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-1-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]ethanone
PubChem CID45179784
Molecular FormulaC21H35N5O
Molecular Weight373.55 g/mol
Exact Mass373.28
IUPAC Name2-(4-ethylpiperazin-1-yl)-1-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]ethanone
SMILESCCN1CCN(CC(=O)N2CCCC(N(C)CCc3ccccn3)C2)CC1
InChIInChI=1S/C21H35N5O/c1-3-24-13-15-25(16-14-24)18-21(27)26-11-6-8-20(17-26)23(2)12-9-19-7-4-5-10-22-19/h4-5,7,10,20H,3,6,8-9,11-18H2,1-2H3
InChIKeySPKVLVJMGDMDQB-UHFFFAOYSA-N
XLogP1.18
TPSA42.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.55
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethylpiperazin-1-yl)-1-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-ethyl-6-methyl-3-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidine-1-carbonyl]pyridin-2-one
CID 56894066
[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 56912433
methyl 4-[[3-[methyl(2-pyridin-2-ylethyl)amino]piperidine-1-carbonyl]amino]benzoate
CID 45234205
[(3S)-3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 95727240
1-[4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129005727
1-[(4S)-4-[methyl(pyridin-2-ylmethyl)amino]azepan-1-yl]-3-pyridin-2-ylpropan-1-one
CID 129473864
(2-benzyl-1,3-thiazol-4-yl)-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]methanone
CID 56701731
1-[(3R)-3-[methyl(pyridin-2-ylmethyl)amino]piperidin-1-yl]prop-2-en-1-one
CID 166764311
1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone
CID 45202124
(3R)-1-(benzenesulfonyl)-N-methyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 42521946
(3S)-N-methyl-1-[(E)-2-phenylethenyl]sulfonyl-N-(2-pyridin-2-ylethyl)piperidin-3-amine
CID 42396448
1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-methylsulfanylethanone
CID 45175382

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-1-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]ethanone (CID 45179784) is 2-(4-ethylpiperazin-1-yl)-1-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-1-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-1-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]ethanone is CCN1CCN(CC(=O)N2CCCC(N(C)CCc3ccccn3)C2)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-1-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]ethanone?
The InChIKey is SPKVLVJMGDMDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5O/c1-3-24-13-15-25(16-14-24)18-21(27)26-11-6-8-20(17-26)23(2)12-9-19-7-4-5-10-22-19/h4-5,7,10,20H,3,6,8-9,11-18H2,1-2H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-1-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]ethanone?
2-(4-ethylpiperazin-1-yl)-1-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]ethanone has a molecular weight of 373.55 g/mol, XLogP of 1.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-1-[3-[methyl(2-pyridin-2-ylethyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 45179784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).