N-cyclohexyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide;hydrochloride

C19H27ClFN3O2 — CID 6603126

IUPACN-cyclohexyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCl.O=C(CN1CCN(C(=O)c2cccc(F)c2)CC1)NC1CCCCC1
InChIInChI=1S/C19H26FN3O2.ClH/c20-16-6-4-5-15(13-16)19(25)23-11-9-22(10-12-23)14-18(24)21-17-7-2-1-3-8-17;/h4-6,13,17H,1-3,7-12,14H2,(H,21,24);1H
InChIKeyWGUHKRCVLYNWFX-UHFFFAOYSA-N
MW383.90 g/mol
LogP2.45
Rot. Bonds4

About N-cyclohexyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide;hydrochloride

N-cyclohexyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide;hydrochloride (PubChem CID 6603126) has the molecular formula C19H27ClFN3O2 and a molecular weight of 383.90 g/mol. Its IUPAC name is N-cyclohexyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-cyclohexyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide;hydrochloride
PubChem CID6603126
Molecular FormulaC19H27ClFN3O2
Molecular Weight383.90 g/mol
Exact Mass383.18
IUPAC NameN-cyclohexyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide;hydrochloride
SMILESCl.O=C(CN1CCN(C(=O)c2cccc(F)c2)CC1)NC1CCCCC1
InChIInChI=1S/C19H26FN3O2.ClH/c20-16-6-4-5-15(13-16)19(25)23-11-9-22(10-12-23)14-18(24)21-17-7-2-1-3-8-17;/h4-6,13,17H,1-3,7-12,14H2,(H,21,24);1H
InChIKeyWGUHKRCVLYNWFX-UHFFFAOYSA-N
XLogP2.45
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide;hydrochloride?
The IUPAC name of N-cyclohexyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide;hydrochloride (CID 6603126) is N-cyclohexyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide;hydrochloride.
What is the SMILES notation for N-cyclohexyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide;hydrochloride?
The canonical SMILES for N-cyclohexyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide;hydrochloride is Cl.O=C(CN1CCN(C(=O)c2cccc(F)c2)CC1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide;hydrochloride?
The InChIKey is WGUHKRCVLYNWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2.ClH/c20-16-6-4-5-15(13-16)19(25)23-11-9-22(10-12-23)14-18(24)21-17-7-2-1-3-8-17;/h4-6,13,17H,1-3,7-12,14H2,(H,21,24);1H.
What are the key properties of N-cyclohexyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide;hydrochloride?
N-cyclohexyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide;hydrochloride has a molecular weight of 383.90 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide;hydrochloride is sourced from PubChem (CID 6603126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).