2-(4-acetylpiperazin-1-yl)-1-piperidin-2-ylethanone

C13H23N3O2 — CID 115006938

IUPAC2-(4-acetylpiperazin-1-yl)-1-piperidin-2-ylethanone
SMILESCC(=O)N1CCN(CC(=O)C2CCCCN2)CC1
InChIInChI=1S/C13H23N3O2/c1-11(17)16-8-6-15(7-9-16)10-13(18)12-4-2-3-5-14-12/h12,14H,2-10H2,1H3
InChIKeyMAMFULBIDSWKHQ-UHFFFAOYSA-N
MW253.35 g/mol
LogP-0.14
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-1-piperidin-2-ylethanone

2-(4-acetylpiperazin-1-yl)-1-piperidin-2-ylethanone (PubChem CID 115006938) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-1-piperidin-2-ylethanone.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-1-piperidin-2-ylethanone
PubChem CID115006938
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name2-(4-acetylpiperazin-1-yl)-1-piperidin-2-ylethanone
SMILESCC(=O)N1CCN(CC(=O)C2CCCCN2)CC1
InChIInChI=1S/C13H23N3O2/c1-11(17)16-8-6-15(7-9-16)10-13(18)12-4-2-3-5-14-12/h12,14H,2-10H2,1H3
InChIKeyMAMFULBIDSWKHQ-UHFFFAOYSA-N
XLogP-0.14
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(2S)-pyrrolidine-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 55002826
N-cyclohexyl-N-methyl-2-[4-[(2R)-piperidine-2-carbonyl]piperazin-1-yl]acetamide
CID 119876689
1-(2-methylpiperidin-1-yl)-2-[4-(piperidine-2-carbonyl)piperazin-1-yl]ethanone
CID 119851394
methyl 2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetate
CID 93376360
[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 103813273
1-[4-(pyrrolidine-2-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119112195
[4-(2-hydroxyethyl)piperazin-1-yl]-piperidin-2-ylmethanone
CID 43501381
N,N-dimethyl-2-[4-[(2R)-pyrrolidine-2-carbonyl]piperazin-1-yl]acetamide
CID 103813307
N-methyl-2-[4-(pyrrolidine-2-carbonyl)piperazin-1-yl]acetamide
CID 60717609
[4-(2-methoxyethyl)piperazin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 119838507
N-(2,4-dichlorophenyl)-4-(2-oxo-2-pyrrolidin-2-ylethyl)piperazine-1-carboxamide
CID 4606874
N-(3,4-dichlorophenyl)-4-[2-oxo-2-[(2R)-pyrrolidin-2-yl]ethyl]piperazine-1-carboxamide
CID 40620726

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-1-piperidin-2-ylethanone?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-1-piperidin-2-ylethanone (CID 115006938) is 2-(4-acetylpiperazin-1-yl)-1-piperidin-2-ylethanone.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-1-piperidin-2-ylethanone?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-1-piperidin-2-ylethanone is CC(=O)N1CCN(CC(=O)C2CCCCN2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-1-piperidin-2-ylethanone?
The InChIKey is MAMFULBIDSWKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-11(17)16-8-6-15(7-9-16)10-13(18)12-4-2-3-5-14-12/h12,14H,2-10H2,1H3.
What are the key properties of 2-(4-acetylpiperazin-1-yl)-1-piperidin-2-ylethanone?
2-(4-acetylpiperazin-1-yl)-1-piperidin-2-ylethanone has a molecular weight of 253.35 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-1-piperidin-2-ylethanone is sourced from PubChem (CID 115006938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).