1-[4-(1-chloropiperidine-4-carbonyl)piperazin-1-yl]-2-cyclohexylethanone

C18H30ClN3O2 — CID 58615983

IUPAC1-[4-(1-chloropiperidine-4-carbonyl)piperazin-1-yl]-2-cyclohexylethanone
SMILESO=C(CC1CCCCC1)N1CCN(C(=O)C2CCN(Cl)CC2)CC1
InChIInChI=1S/C18H30ClN3O2/c19-22-8-6-16(7-9-22)18(24)21-12-10-20(11-13-21)17(23)14-15-4-2-1-3-5-15/h15-16H,1-14H2
InChIKeyZEKUZRFYGZWTLW-UHFFFAOYSA-N
MW355.91 g/mol
LogP2.49
Rot. Bonds3

About 1-[4-(1-chloropiperidine-4-carbonyl)piperazin-1-yl]-2-cyclohexylethanone

1-[4-(1-chloropiperidine-4-carbonyl)piperazin-1-yl]-2-cyclohexylethanone (PubChem CID 58615983) has the molecular formula C18H30ClN3O2 and a molecular weight of 355.91 g/mol. Its IUPAC name is 1-[4-(1-chloropiperidine-4-carbonyl)piperazin-1-yl]-2-cyclohexylethanone.

Molecular Properties

Compound Name1-[4-(1-chloropiperidine-4-carbonyl)piperazin-1-yl]-2-cyclohexylethanone
PubChem CID58615983
Molecular FormulaC18H30ClN3O2
Molecular Weight355.91 g/mol
Exact Mass355.20
IUPAC Name1-[4-(1-chloropiperidine-4-carbonyl)piperazin-1-yl]-2-cyclohexylethanone
SMILESO=C(CC1CCCCC1)N1CCN(C(=O)C2CCN(Cl)CC2)CC1
InChIInChI=1S/C18H30ClN3O2/c19-22-8-6-16(7-9-22)18(24)21-12-10-20(11-13-21)17(23)14-15-4-2-1-3-5-15/h15-16H,1-14H2
InChIKeyZEKUZRFYGZWTLW-UHFFFAOYSA-N
XLogP2.49
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-cyclohexylethanone
CID 134029886
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-cyclopentylethanone
CID 39997538
1-(azepan-1-yl)-2-[1-(cyclohexanecarbonyl)piperidin-4-yl]ethanone
CID 46295186
1-(2-cyclohexylacetyl)piperidine-4-carboxylic acid
CID 43183394
2-cyclopentyl-1-[4-(1-ethylsulfonylpiperidine-4-carbonyl)piperazin-1-yl]ethanone
CID 55567324
2-cyclohexyl-1-[4-(pyrrolidine-3-carbonyl)piperazin-1-yl]ethanone
CID 119767012
1-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperazin-1-yl]-2-cyclohexylethanone
CID 120988358
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-chloroethanone
CID 52908095
1-[4-(9-aminobicyclo[3.3.1]nonane-3-carbonyl)piperazin-1-yl]-2-cyclohexylethanone;hydrochloride
CID 120988357
2-[1-(cycloheptanecarbonyl)piperidin-4-yl]acetic acid
CID 79614731
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-chloropiperidine-4-carbonyl)piperazin-1-yl]-2-cyclohexylethanone?
The IUPAC name of 1-[4-(1-chloropiperidine-4-carbonyl)piperazin-1-yl]-2-cyclohexylethanone (CID 58615983) is 1-[4-(1-chloropiperidine-4-carbonyl)piperazin-1-yl]-2-cyclohexylethanone.
What is the SMILES notation for 1-[4-(1-chloropiperidine-4-carbonyl)piperazin-1-yl]-2-cyclohexylethanone?
The canonical SMILES for 1-[4-(1-chloropiperidine-4-carbonyl)piperazin-1-yl]-2-cyclohexylethanone is O=C(CC1CCCCC1)N1CCN(C(=O)C2CCN(Cl)CC2)CC1.
What is the InChIKey of 1-[4-(1-chloropiperidine-4-carbonyl)piperazin-1-yl]-2-cyclohexylethanone?
The InChIKey is ZEKUZRFYGZWTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30ClN3O2/c19-22-8-6-16(7-9-22)18(24)21-12-10-20(11-13-21)17(23)14-15-4-2-1-3-5-15/h15-16H,1-14H2.
What are the key properties of 1-[4-(1-chloropiperidine-4-carbonyl)piperazin-1-yl]-2-cyclohexylethanone?
1-[4-(1-chloropiperidine-4-carbonyl)piperazin-1-yl]-2-cyclohexylethanone has a molecular weight of 355.91 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-chloropiperidine-4-carbonyl)piperazin-1-yl]-2-cyclohexylethanone is sourced from PubChem (CID 58615983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).