(4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone

C14H27N3O — CID 108988506

IUPAC(4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)N1CCN(CC)CC1
InChIInChI=1S/C14H27N3O/c1-3-13-7-5-6-8-17(13)14(18)16-11-9-15(4-2)10-12-16/h13H,3-12H2,1-2H3
InChIKeyIZVLYLKTAVNIEM-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.01
Rot. Bonds2

About (4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone

(4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone (PubChem CID 108988506) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone
PubChem CID108988506
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name(4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)N1CCN(CC)CC1
InChIInChI=1S/C14H27N3O/c1-3-13-7-5-6-8-17(13)14(18)16-11-9-15(4-2)10-12-16/h13H,3-12H2,1-2H3
InChIKeyIZVLYLKTAVNIEM-UHFFFAOYSA-N
XLogP2.01
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-acetylpiperazin-1-yl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 108996084
(2R)-1-(2-ethylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 55150970
(1,1-dioxo-1,4-thiazinan-4-yl)-(2-ethylpyrrolidin-1-yl)methanone
CID 67953800
(3R)-1-(2-ethylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81120297
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
[4-(2-ethylpiperidine-1-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 108990325
ethyl 4-[2-(2-ethylpiperidin-1-yl)-2-oxoacetyl]piperazine-1-carboxylate
CID 108523595
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
ethyl 4-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboxylate
CID 109029138
2-chloro-1-[(2R)-2-ethylpiperidin-1-yl]ethanone
CID 7628883
1-(2-ethylpiperidine-1-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114425231

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone (CID 108988506) is (4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)N1CCN(CC)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is IZVLYLKTAVNIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-3-13-7-5-6-8-17(13)14(18)16-11-9-15(4-2)10-12-16/h13H,3-12H2,1-2H3.
What are the key properties of (4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone?
(4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 253.39 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 108988506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).