N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide;hydrochloride

C15H23ClFN3O2 — CID 71783479

IUPACN-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide;hydrochloride
SMILESCC(O)CN1CCN(C(=O)NCc2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C15H22FN3O2.ClH/c1-12(20)11-18-6-8-19(9-7-18)15(21)17-10-13-2-4-14(16)5-3-13;/h2-5,12,20H,6-11H2,1H3,(H,17,21);1H
InChIKeyCGHZMTDEFXRLRL-UHFFFAOYSA-N
MW331.82 g/mol
LogP1.46
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide;hydrochloride

N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide;hydrochloride (PubChem CID 71783479) has the molecular formula C15H23ClFN3O2 and a molecular weight of 331.82 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide;hydrochloride
PubChem CID71783479
Molecular FormulaC15H23ClFN3O2
Molecular Weight331.82 g/mol
Exact Mass331.15
IUPAC NameN-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide;hydrochloride
SMILESCC(O)CN1CCN(C(=O)NCc2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C15H22FN3O2.ClH/c1-12(20)11-18-6-8-19(9-7-18)15(21)17-10-13-2-4-14(16)5-3-13;/h2-5,12,20H,6-11H2,1H3,(H,17,21);1H
InChIKeyCGHZMTDEFXRLRL-UHFFFAOYSA-N
XLogP1.46
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzylpiperazine-1-carboxamide hydrochloride
CID 17400262
N-benzylmorpholine-4-carboxamide
CID 760018
N-benzyl-4-ethylpiperazine-1-carboxamide
CID 858176
N-butyl-4-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
CID 6467378
2-(2,6-dimethylmorpholin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4877762
1-(1-Ethylpiperidin-4-yl)-3-(4-fluorobenzyl)-1-(1-(2-hydroxyethyl)piperidin-4-yl)urea
CID 46884512
N-benzhydryl-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 973438
N-benzyl-4-(2-hydroxyethyl)-1-piperazinecarboxamide
CID 6457755
1-Benzyl-5-hydroxyimidazolidin-2-one
CID 13109372
US11485731, Example 1CL
CID 142428263
N-butyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 6468527
N-(benzylcarbamoyl)-2-(2-methylmorpholin-4-yl)acetamide
CID 17451981

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide;hydrochloride?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide;hydrochloride (CID 71783479) is N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide;hydrochloride?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide;hydrochloride is CC(O)CN1CCN(C(=O)NCc2ccc(F)cc2)CC1.Cl.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide;hydrochloride?
The InChIKey is CGHZMTDEFXRLRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2.ClH/c1-12(20)11-18-6-8-19(9-7-18)15(21)17-10-13-2-4-14(16)5-3-13;/h2-5,12,20H,6-11H2,1H3,(H,17,21);1H.
What are the key properties of N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide;hydrochloride?
N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide;hydrochloride has a molecular weight of 331.82 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-(2-hydroxypropyl)piperazine-1-carboxamide;hydrochloride is sourced from PubChem (CID 71783479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).