piperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate

C20H30N4O2 — CID 159731714

IUPACpiperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate
SMILESC1CNCCN1.CC(=O)c1ccc2cc(N3CCNCC3)ccc2c1.O
InChIInChI=1S/C16H18N2O.C4H10N2.H2O/c1-12(19)13-2-3-15-11-16(5-4-14(15)10-13)18-8-6-17-7-9-18;1-2-6-4-3-5-1;/h2-5,10-11,17H,6-9H2,1H3;5-6H,1-4H2;1H2
InChIKeyKYEFHJPEOKFZBU-UHFFFAOYSA-N
MW358.49 g/mol
LogP0.81
Rot. Bonds2

About piperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate

piperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate (PubChem CID 159731714) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is piperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate.

Molecular Properties

Compound Namepiperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate
PubChem CID159731714
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Namepiperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate
SMILESC1CNCCN1.CC(=O)c1ccc2cc(N3CCNCC3)ccc2c1.O
InChIInChI=1S/C16H18N2O.C4H10N2.H2O/c1-12(19)13-2-3-15-11-16(5-4-14(15)10-13)18-8-6-17-7-9-18;1-2-6-4-3-5-1;/h2-5,10-11,17H,6-9H2,1H3;5-6H,1-4H2;1H2
InChIKeyKYEFHJPEOKFZBU-UHFFFAOYSA-N
XLogP0.81
TPSA87.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;1-(4-piperazin-1-ylphenyl)ethanone
CID 142085748
N-(3-acetylphenyl)-4-piperazin-1-ylbenzamide
CID 174533104
1-(2-amino-5-piperazin-1-ylphenyl)ethanone
CID 104612700
1-(7-acetylanthracen-2-yl)ethanone
CID 139364083
1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone
CID 173297247
1-(2-piperazin-1-yl-1,3-benzothiazol-6-yl)ethanone
CID 153084897
ethane;5-piperazin-1-yl-1-benzofuran-2-carboxamide
CID 144805378
2-[4-(4-acetylphenyl)piperazin-1-yl]-1-piperazin-1-ylethanone
CID 143404062
1-(5-piperazin-1-yl-2-pyridinyl)ethanone
CID 79020099
4-(1,4-diazepan-1-yl)-2-methylbenzoic acid
CID 115760457
[1-(6-acetylnaphthalen-2-yl)piperidin-4-yl]methyl pyrrolidine-1-carboxylate
CID 10762340
1-[4-(piperazine-1-carbonyl)phenyl]ethanone
CID 82510195

Frequently Asked Questions

What is the IUPAC name of piperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate?
The IUPAC name of piperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate (CID 159731714) is piperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate.
What is the SMILES notation for piperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate?
The canonical SMILES for piperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate is C1CNCCN1.CC(=O)c1ccc2cc(N3CCNCC3)ccc2c1.O.
What is the InChIKey of piperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate?
The InChIKey is KYEFHJPEOKFZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O.C4H10N2.H2O/c1-12(19)13-2-3-15-11-16(5-4-14(15)10-13)18-8-6-17-7-9-18;1-2-6-4-3-5-1;/h2-5,10-11,17H,6-9H2,1H3;5-6H,1-4H2;1H2.
What are the key properties of piperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate?
piperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate has a molecular weight of 358.49 g/mol, XLogP of 0.81, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperazine;1-(6-piperazin-1-ylnaphthalen-2-yl)ethanone;hydrate is sourced from PubChem (CID 159731714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).