1-[4-[(dipropylsulfamoylamino)methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine

C22H32FN5O2S — CID 47065148

IUPAC1-[4-[(dipropylsulfamoylamino)methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine
SMILESCCCN(CCC)S(=O)(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H32FN5O2S/c1-3-11-28(12-4-2)31(29,30)25-18-19-9-10-24-22(17-19)27-15-13-26(14-16-27)21-7-5-20(23)6-8-21/h5-10,17,25H,3-4,11-16,18H2,1-2H3
InChIKeyCATODKSGDPHPEX-UHFFFAOYSA-N
MW449.60 g/mol
LogP3.00
Rot. Bonds10

About 1-[4-[(dipropylsulfamoylamino)methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine

1-[4-[(dipropylsulfamoylamino)methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine (PubChem CID 47065148) has the molecular formula C22H32FN5O2S and a molecular weight of 449.60 g/mol. Its IUPAC name is 1-[4-[(dipropylsulfamoylamino)methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[4-[(dipropylsulfamoylamino)methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine
PubChem CID47065148
Molecular FormulaC22H32FN5O2S
Molecular Weight449.60 g/mol
Exact Mass449.23
IUPAC Name1-[4-[(dipropylsulfamoylamino)methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine
SMILESCCCN(CCC)S(=O)(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1
InChIInChI=1S/C22H32FN5O2S/c1-3-11-28(12-4-2)31(29,30)25-18-19-9-10-24-22(17-19)27-15-13-26(14-16-27)21-7-5-20(23)6-8-21/h5-10,17,25H,3-4,11-16,18H2,1-2H3
InChIKeyCATODKSGDPHPEX-UHFFFAOYSA-N
XLogP3.00
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US10450297, Example 50
CID 57584772
1-(2-Phenethyl)-4-(2-pyridyl)piperazine
CID 11000026
N-(4-methylpyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
CID 4566836
Arylsulfonylpiperazine, 6
CID 44237014
2-{4-[4-(3-Trifluoromethylphenyl)piperazin-1-yl]butyl}amino-4-phenylpyridine
CID 11584530
1-(4-methylpyridin-2-yl)-3-[2-[N-methyl-3-(trifluoromethyl)anilino]ethyl]thiourea
CID 49853062
N,N-dimethyl-4-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]aniline
CID 5342813
1-(3-Phenylpropyl)-4-pyridin-2-ylpiperazine
CID 667735
N-(4-methylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]tetrahydropyrazine-1(2H)-carboxamide
CID 2741741
1-Benzyl-4-(3-(trifluoromethyl)-pyridin-2-yl)piperazine
CID 44237013
Piperazine-1-carboxamide, 4
CID 2741409
N-(3-fluorophenyl)-4-pyridin-2-ylpiperazine-1-carbothioamide
CID 895726

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(dipropylsulfamoylamino)methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine?
The IUPAC name of 1-[4-[(dipropylsulfamoylamino)methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine (CID 47065148) is 1-[4-[(dipropylsulfamoylamino)methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine.
What is the SMILES notation for 1-[4-[(dipropylsulfamoylamino)methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine?
The canonical SMILES for 1-[4-[(dipropylsulfamoylamino)methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine is CCCN(CCC)S(=O)(=O)NCc1ccnc(N2CCN(c3ccc(F)cc3)CC2)c1.
What is the InChIKey of 1-[4-[(dipropylsulfamoylamino)methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine?
The InChIKey is CATODKSGDPHPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32FN5O2S/c1-3-11-28(12-4-2)31(29,30)25-18-19-9-10-24-22(17-19)27-15-13-26(14-16-27)21-7-5-20(23)6-8-21/h5-10,17,25H,3-4,11-16,18H2,1-2H3.
What are the key properties of 1-[4-[(dipropylsulfamoylamino)methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine?
1-[4-[(dipropylsulfamoylamino)methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine has a molecular weight of 449.60 g/mol, XLogP of 3.00, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(dipropylsulfamoylamino)methyl]-2-pyridinyl]-4-(4-fluorophenyl)piperazine is sourced from PubChem (CID 47065148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).