(2-chlorophenyl)-[4-[3-(cyclobutylmethoxy)propyl]piperazin-1-yl]methanone

C19H27ClN2O2 — CID 155554941

IUPAC(2-chlorophenyl)-[4-[3-(cyclobutylmethoxy)propyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCN(CCCOCC2CCC2)CC1
InChIInChI=1S/C19H27ClN2O2/c20-18-8-2-1-7-17(18)19(23)22-12-10-21(11-13-22)9-4-14-24-15-16-5-3-6-16/h1-2,7-8,16H,3-6,9-15H2
InChIKeyJFVGNUMQELSTQN-UHFFFAOYSA-N
MW350.89 g/mol
LogP3.30
Rot. Bonds7

About (2-chlorophenyl)-[4-[3-(cyclobutylmethoxy)propyl]piperazin-1-yl]methanone

(2-chlorophenyl)-[4-[3-(cyclobutylmethoxy)propyl]piperazin-1-yl]methanone (PubChem CID 155554941) has the molecular formula C19H27ClN2O2 and a molecular weight of 350.89 g/mol. Its IUPAC name is (2-chlorophenyl)-[4-[3-(cyclobutylmethoxy)propyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[4-[3-(cyclobutylmethoxy)propyl]piperazin-1-yl]methanone
PubChem CID155554941
Molecular FormulaC19H27ClN2O2
Molecular Weight350.89 g/mol
Exact Mass350.18
IUPAC Name(2-chlorophenyl)-[4-[3-(cyclobutylmethoxy)propyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1Cl)N1CCN(CCCOCC2CCC2)CC1
InChIInChI=1S/C19H27ClN2O2/c20-18-8-2-1-7-17(18)19(23)22-12-10-21(11-13-22)9-4-14-24-15-16-5-3-6-16/h1-2,7-8,16H,3-6,9-15H2
InChIKeyJFVGNUMQELSTQN-UHFFFAOYSA-N
XLogP3.30
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.89
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[4-[3-(cyclobutylmethoxy)propyl]piperazin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[4-[3-(cyclobutylmethoxy)propyl]piperazin-1-yl]methanone (CID 155554941) is (2-chlorophenyl)-[4-[3-(cyclobutylmethoxy)propyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[4-[3-(cyclobutylmethoxy)propyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[4-[3-(cyclobutylmethoxy)propyl]piperazin-1-yl]methanone is O=C(c1ccccc1Cl)N1CCN(CCCOCC2CCC2)CC1.
What is the InChIKey of (2-chlorophenyl)-[4-[3-(cyclobutylmethoxy)propyl]piperazin-1-yl]methanone?
The InChIKey is JFVGNUMQELSTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2/c20-18-8-2-1-7-17(18)19(23)22-12-10-21(11-13-22)9-4-14-24-15-16-5-3-6-16/h1-2,7-8,16H,3-6,9-15H2.
What are the key properties of (2-chlorophenyl)-[4-[3-(cyclobutylmethoxy)propyl]piperazin-1-yl]methanone?
(2-chlorophenyl)-[4-[3-(cyclobutylmethoxy)propyl]piperazin-1-yl]methanone has a molecular weight of 350.89 g/mol, XLogP of 3.30, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[4-[3-(cyclobutylmethoxy)propyl]piperazin-1-yl]methanone is sourced from PubChem (CID 155554941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).