(2R)-2-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one

C16H30N4O2 — CID 119879448

IUPAC(2R)-2-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one
SMILESCCN1CCN(C(=O)CC2CCN(C(=O)[C@@H](C)N)CC2)CC1
InChIInChI=1S/C16H30N4O2/c1-3-18-8-10-19(11-9-18)15(21)12-14-4-6-20(7-5-14)16(22)13(2)17/h13-14H,3-12,17H2,1-2H3/t13-/m1/s1
InChIKeyXLPITTUWQAGXOS-CYBMUJFWSA-N
MW310.44 g/mol
LogP0.13
Rot. Bonds4

About (2R)-2-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one

(2R)-2-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one (PubChem CID 119879448) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is (2R)-2-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one
PubChem CID119879448
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name(2R)-2-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one
SMILESCCN1CCN(C(=O)CC2CCN(C(=O)[C@@H](C)N)CC2)CC1
InChIInChI=1S/C16H30N4O2/c1-3-18-8-10-19(11-9-18)15(21)12-14-4-6-20(7-5-14)16(22)13(2)17/h13-14H,3-12,17H2,1-2H3/t13-/m1/s1
InChIKeyXLPITTUWQAGXOS-CYBMUJFWSA-N
XLogP0.13
TPSA69.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-2-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

2-[4-(aminomethyl)cyclohexyl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 63613214
2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879418
1-(4-ethylpiperazin-1-yl)-2-[1-[2-(methylamino)acetyl]piperidin-4-yl]ethanone;hydrochloride
CID 120704431
2-amino-1-(4-ethyl-1,4-diazepan-1-yl)propan-1-one
CID 83635043
2-cyclopropyl-1-(4-ethyl-1,4-diazepan-1-yl)ethanone
CID 91255593
4-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-methoxybutan-1-one;dihydrochloride
CID 120596615
2-[1-(3-aminocyclopentanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 119879435
2-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879430
2-(1-ethylpiperidin-4-yl)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone
CID 50950882
2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879438
(2S)-2-amino-1-[4-[(dimethylamino)methyl]piperidin-1-yl]propan-1-one
CID 61148515
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 79607332

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one (CID 119879448) is (2R)-2-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one is CCN1CCN(C(=O)CC2CCN(C(=O)[C@@H](C)N)CC2)CC1.
What is the InChIKey of (2R)-2-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one?
The InChIKey is XLPITTUWQAGXOS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-3-18-8-10-19(11-9-18)15(21)12-14-4-6-20(7-5-14)16(22)13(2)17/h13-14H,3-12,17H2,1-2H3/t13-/m1/s1.
What are the key properties of (2R)-2-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one?
(2R)-2-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one has a molecular weight of 310.44 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119879448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).