2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone

C17H17ClN2O2 — CID 108569251

IUPAC2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CCl)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C17H17ClN2O2/c18-12-16(21)19-8-10-20(11-9-19)17(22)15-7-3-5-13-4-1-2-6-14(13)15/h1-7H,8-12H2
InChIKeyQLQJBTDFFNTAIF-UHFFFAOYSA-N
MW316.79 g/mol
LogP2.36
Rot. Bonds2

About 2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone

2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone (PubChem CID 108569251) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
PubChem CID108569251
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CCl)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C17H17ClN2O2/c18-12-16(21)19-8-10-20(11-9-19)17(22)15-7-3-5-13-4-1-2-6-14(13)15/h1-7H,8-12H2
InChIKeyQLQJBTDFFNTAIF-UHFFFAOYSA-N
XLogP2.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]butan-1-one
CID 108569239
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
2-chloro-1-[4-(2-sulfanylbenzoyl)piperazin-1-yl]ethanone
CID 108569413
3-methoxy-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propan-1-one
CID 108536410
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 2169062
1-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 108547203
naphthalen-1-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 31565762
[4-(2-methylpropyl)piperazin-1-yl]-naphthalen-1-ylmethanone
CID 70229346
2-(4-methylphenoxy)-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 1074741
2-(4-chloro-3,5-dimethylphenoxy)-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 108535664
N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554043
4-hydroxy-1-(naphthalene-1-carbonyl)piperidine-4-carboxylic acid
CID 119250762

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone (CID 108569251) is 2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone is O=C(CCl)N1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of 2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is QLQJBTDFFNTAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c18-12-16(21)19-8-10-20(11-9-19)17(22)15-7-3-5-13-4-1-2-6-14(13)15/h1-7H,8-12H2.
What are the key properties of 2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone?
2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 316.79 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 108569251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).