(4-ethylpiperazin-1-yl)-piperidin-4-ylmethanone

C12H23N3O — CID 4527217

IUPAC(4-ethylpiperazin-1-yl)-piperidin-4-ylmethanone
SMILESCCN1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C12H23N3O/c1-2-14-7-9-15(10-8-14)12(16)11-3-5-13-6-4-11/h11,13H,2-10H2,1H3
InChIKeyDTWWMLXLILVXCH-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.15
Rot. Bonds2

About (4-ethylpiperazin-1-yl)-piperidin-4-ylmethanone

(4-ethylpiperazin-1-yl)-piperidin-4-ylmethanone (PubChem CID 4527217) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-piperidin-4-ylmethanone
PubChem CID4527217
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name(4-ethylpiperazin-1-yl)-piperidin-4-ylmethanone
SMILESCCN1CCN(C(=O)C2CCNCC2)CC1
InChIInChI=1S/C12H23N3O/c1-2-14-7-9-15(10-8-14)12(16)11-3-5-13-6-4-11/h11,13H,2-10H2,1H3
InChIKeyDTWWMLXLILVXCH-UHFFFAOYSA-N
XLogP0.15
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Diethyl-4-piperidinecarboxamide
CID 410920
N,N-dimethylpiperidine-4-carboxamide
CID 411689
N-[3-(dimethylamino)propyl]piperidine-4-carboxamide
CID 2186960
N,N-dimethylpiperidine-4-carboxamide hydrochloride
CID 19872414
N-[2-(diethylamino)ethyl]-1-(piperidin-1-ylsulfonyl)piperidine-4-carboxamide
CID 3245025
1-[[1-(3-Methylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281028
1-acetyl-N-(1-propylpiperidin-4-yl)piperidine-4-carboxamide
CID 6467229
1-(Piperidin-4-ylcarbonyl)piperidine
CID 2794688
Piperazine, 1-(2-propylvaleryl)-
CID 201027
2-ethyl-N-{2-[4-(2-ethylbutanoyl)piperazin-1-yl]ethyl}butanamide
CID 832075
1-[[1-(2-Ethylbutyl)piperidin-4-yl]methyl]piperazine-2,3-dione
CID 45281026
N-((1-methylpiperidin-4-yl)methyl)pivalamide
CID 16895339

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-piperidin-4-ylmethanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-piperidin-4-ylmethanone (CID 4527217) is (4-ethylpiperazin-1-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-piperidin-4-ylmethanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-piperidin-4-ylmethanone is CCN1CCN(C(=O)C2CCNCC2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-piperidin-4-ylmethanone?
The InChIKey is DTWWMLXLILVXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-2-14-7-9-15(10-8-14)12(16)11-3-5-13-6-4-11/h11,13H,2-10H2,1H3.
What are the key properties of (4-ethylpiperazin-1-yl)-piperidin-4-ylmethanone?
(4-ethylpiperazin-1-yl)-piperidin-4-ylmethanone has a molecular weight of 225.34 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-piperidin-4-ylmethanone is sourced from PubChem (CID 4527217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).