3-[cyclopropylmethyl-[(4-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

C18H27ClFN3O — CID 120981774

IUPAC3-[cyclopropylmethyl-[(4-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CCN(Cc1ccc(F)cc1)CC1CC1)N1CCNCC1
InChIInChI=1S/C18H26FN3O.ClH/c19-17-5-3-16(4-6-17)14-21(13-15-1-2-15)10-7-18(23)22-11-8-20-9-12-22;/h3-6,15,20H,1-2,7-14H2;1H
InChIKeyPTKHBDOXORZMKD-UHFFFAOYSA-N
MW355.89 g/mol
LogP2.28
Rot. Bonds7

About 3-[cyclopropylmethyl-[(4-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

3-[cyclopropylmethyl-[(4-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120981774) has the molecular formula C18H27ClFN3O and a molecular weight of 355.89 g/mol. Its IUPAC name is 3-[cyclopropylmethyl-[(4-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[cyclopropylmethyl-[(4-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120981774
Molecular FormulaC18H27ClFN3O
Molecular Weight355.89 g/mol
Exact Mass355.18
IUPAC Name3-[cyclopropylmethyl-[(4-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CCN(Cc1ccc(F)cc1)CC1CC1)N1CCNCC1
InChIInChI=1S/C18H26FN3O.ClH/c19-17-5-3-16(4-6-17)14-21(13-15-1-2-15)10-7-18(23)22-11-8-20-9-12-22;/h3-6,15,20H,1-2,7-14H2;1H
InChIKeyPTKHBDOXORZMKD-UHFFFAOYSA-N
XLogP2.28
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.89
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[cyclopropylmethyl-[(4-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;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

3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980411
3-[benzyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980297
3-[benzyl(2,2-dimethylpropyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981536
3-[ethyl-[1-(4-fluorophenyl)ethyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120981095
3-[(3,4-dichlorophenyl)methyl-ethylamino]-1-piperazin-1-ylpropan-1-one
CID 120981153
3-[(2,6-difluorophenyl)methyl-ethylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981439
4-ethoxy-N-[(4-fluorophenyl)methyl]-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779414
N-methyl-4-[[methyl-(3-oxo-3-piperazin-1-ylpropyl)amino]methyl]benzamide
CID 120980533
3-[(2,4-difluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one
CID 120980650
3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982442
2-(dibenzylamino)-1-piperazin-1-ylethanone
CID 67567053
3-[ethyl-[(1-pyridin-2-ylpiperidin-4-yl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120982856

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl-[(4-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-[cyclopropylmethyl-[(4-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120981774) is 3-[cyclopropylmethyl-[(4-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-[cyclopropylmethyl-[(4-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-[cyclopropylmethyl-[(4-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is Cl.O=C(CCN(Cc1ccc(F)cc1)CC1CC1)N1CCNCC1.
What is the InChIKey of 3-[cyclopropylmethyl-[(4-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is PTKHBDOXORZMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN3O.ClH/c19-17-5-3-16(4-6-17)14-21(13-15-1-2-15)10-7-18(23)22-11-8-20-9-12-22;/h3-6,15,20H,1-2,7-14H2;1H.
What are the key properties of 3-[cyclopropylmethyl-[(4-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-[cyclopropylmethyl-[(4-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 355.89 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl-[(4-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120981774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).