N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide chloride

C20H35ClN3O- — CID 53347014

IUPACN-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide chloride
SMILESO=C(CN1CCN(C2CCCCC2)CC1)NCCC1=CCCCC1.[Cl-]
InChIInChI=1S/C20H35N3O.ClH/c24-20(21-12-11-18-7-3-1-4-8-18)17-22-13-15-23(16-14-22)19-9-5-2-6-10-19;/h7,19H,1-6,8-17H2,(H,21,24);1H/p-1
InChIKeySQGPXUCYCDPGLC-UHFFFAOYSA-M
MW368.97 g/mol
LogP-0.05
Rot. Bonds6

About N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide chloride

N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide chloride (PubChem CID 53347014) has the molecular formula C20H35ClN3O- and a molecular weight of 368.97 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide chloride.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide chloride
PubChem CID53347014
Molecular FormulaC20H35ClN3O-
Molecular Weight368.97 g/mol
Exact Mass368.25
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide chloride
SMILESO=C(CN1CCN(C2CCCCC2)CC1)NCCC1=CCCCC1.[Cl-]
InChIInChI=1S/C20H35N3O.ClH/c24-20(21-12-11-18-7-3-1-4-8-18)17-22-13-15-23(16-14-22)19-9-5-2-6-10-19;/h7,19H,1-6,8-17H2,(H,21,24);1H/p-1
InChIKeySQGPXUCYCDPGLC-UHFFFAOYSA-M
XLogP-0.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.97
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide chloride?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide chloride (CID 53347014) is N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide chloride.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide chloride?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide chloride is O=C(CN1CCN(C2CCCCC2)CC1)NCCC1=CCCCC1.[Cl-].
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide chloride?
The InChIKey is SQGPXUCYCDPGLC-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H35N3O.ClH/c24-20(21-12-11-18-7-3-1-4-8-18)17-22-13-15-23(16-14-22)19-9-5-2-6-10-19;/h7,19H,1-6,8-17H2,(H,21,24);1H/p-1.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide chloride?
N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide chloride has a molecular weight of 368.97 g/mol, XLogP of -0.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-2-(4-cyclohexylpiperazin-1-yl)acetamide chloride is sourced from PubChem (CID 53347014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).