4-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]butan-1-one

C19H21ClN2O2 — CID 108569239

IUPAC4-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]butan-1-one
SMILESO=C(CCCCl)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C19H21ClN2O2/c20-10-4-9-18(23)21-11-13-22(14-12-21)19(24)17-8-3-6-15-5-1-2-7-16(15)17/h1-3,5-8H,4,9-14H2
InChIKeyBKTBMIWCGYDEQN-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.14
Rot. Bonds4

About 4-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]butan-1-one

4-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]butan-1-one (PubChem CID 108569239) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 4-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]butan-1-one
PubChem CID108569239
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name4-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]butan-1-one
SMILESO=C(CCCCl)N1CCN(C(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C19H21ClN2O2/c20-10-4-9-18(23)21-11-13-22(14-12-21)19(24)17-8-3-6-15-5-1-2-7-16(15)17/h1-3,5-8H,4,9-14H2
InChIKeyBKTBMIWCGYDEQN-UHFFFAOYSA-N
XLogP3.14
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.14
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

2-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]ethanone
CID 108569251
4-chloro-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]butan-1-one
CID 108568144
3-methoxy-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]propan-1-one
CID 108536410
4-chloro-1-[4-(2-methoxybenzoyl)piperazin-1-yl]butan-1-one
CID 108567685
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-phenylmethanone
CID 1074720
4-(2-methylphenoxy)-1-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 108547065
1-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]-2-phenoxyethanone
CID 108547203
3-(4-methylphenyl)-1-[4-(naphthalene-1-carbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 108547207
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
1,4-diazepan-1-yl(naphthalen-1-yl)methanone
CID 18933042
[4-(naphthalene-1-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 2169062

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]butan-1-one?
The IUPAC name of 4-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]butan-1-one (CID 108569239) is 4-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 4-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 4-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]butan-1-one is O=C(CCCCl)N1CCN(C(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of 4-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]butan-1-one?
The InChIKey is BKTBMIWCGYDEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-10-4-9-18(23)21-11-13-22(14-12-21)19(24)17-8-3-6-15-5-1-2-7-16(15)17/h1-3,5-8H,4,9-14H2.
What are the key properties of 4-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]butan-1-one?
4-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]butan-1-one has a molecular weight of 344.84 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[4-(naphthalene-1-carbonyl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 108569239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).