3-[cyclopentyl-[(2,6-difluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

C19H28ClF2N3O — CID 120981560

IUPAC3-[cyclopentyl-[(2,6-difluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CCN(Cc1c(F)cccc1F)C1CCCC1)N1CCNCC1
InChIInChI=1S/C19H27F2N3O.ClH/c20-17-6-3-7-18(21)16(17)14-24(15-4-1-2-5-15)11-8-19(25)23-12-9-22-10-13-23;/h3,6-7,15,22H,1-2,4-5,8-14H2;1H
InChIKeyNFTMAPCPJMBBOI-UHFFFAOYSA-N
MW387.90 g/mol
LogP2.95
Rot. Bonds6

About 3-[cyclopentyl-[(2,6-difluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

3-[cyclopentyl-[(2,6-difluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120981560) has the molecular formula C19H28ClF2N3O and a molecular weight of 387.90 g/mol. Its IUPAC name is 3-[cyclopentyl-[(2,6-difluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[cyclopentyl-[(2,6-difluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120981560
Molecular FormulaC19H28ClF2N3O
Molecular Weight387.90 g/mol
Exact Mass387.19
IUPAC Name3-[cyclopentyl-[(2,6-difluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCl.O=C(CCN(Cc1c(F)cccc1F)C1CCCC1)N1CCNCC1
InChIInChI=1S/C19H27F2N3O.ClH/c20-17-6-3-7-18(21)16(17)14-24(15-4-1-2-5-15)11-8-19(25)23-12-9-22-10-13-23;/h3,6-7,15,22H,1-2,4-5,8-14H2;1H
InChIKeyNFTMAPCPJMBBOI-UHFFFAOYSA-N
XLogP2.95
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.90
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120980502
3-[(2,6-difluorophenyl)methyl-ethylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981439
N-cyclopentyl-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779421
3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980296
N-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779791
1-(1,4-diazepan-1-yl)-3-(2,6-difluorophenyl)propan-1-one
CID 83925366
3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980278
3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62543081
N-(2-bromoethyl)-N-[(2,6-difluorophenyl)methyl]cyclobutanamine
CID 102860832
4-bromo-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779320
3-[(4-fluorophenyl)methyl-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980411
N-[(2,6-difluorophenyl)methyl]-N-ethylpiperidin-4-amine
CID 114930841

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl-[(2,6-difluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-[cyclopentyl-[(2,6-difluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120981560) is 3-[cyclopentyl-[(2,6-difluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-[cyclopentyl-[(2,6-difluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-[cyclopentyl-[(2,6-difluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is Cl.O=C(CCN(Cc1c(F)cccc1F)C1CCCC1)N1CCNCC1.
What is the InChIKey of 3-[cyclopentyl-[(2,6-difluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is NFTMAPCPJMBBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O.ClH/c20-17-6-3-7-18(21)16(17)14-24(15-4-1-2-5-15)11-8-19(25)23-12-9-22-10-13-23;/h3,6-7,15,22H,1-2,4-5,8-14H2;1H.
What are the key properties of 3-[cyclopentyl-[(2,6-difluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-[cyclopentyl-[(2,6-difluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 387.90 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl-[(2,6-difluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120981560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).