1-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-ethylurea

C19H21F2N5O2 — CID 46161079

IUPAC1-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc(N2CCN(C(=O)c3cc(F)cc(F)c3)CC2)nc1
InChIInChI=1S/C19H21F2N5O2/c1-2-22-19(28)24-16-3-4-17(23-12-16)25-5-7-26(8-6-25)18(27)13-9-14(20)11-15(21)10-13/h3-4,9-12H,2,5-8H2,1H3,(H2,22,24,28)
InChIKeyWSPJIQORYCYKTC-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.46
Rot. Bonds4

About 1-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-ethylurea

1-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-ethylurea (PubChem CID 46161079) has the molecular formula C19H21F2N5O2 and a molecular weight of 389.41 g/mol. Its IUPAC name is 1-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-ethylurea.

Molecular Properties

Compound Name1-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-ethylurea
PubChem CID46161079
Molecular FormulaC19H21F2N5O2
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC Name1-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc(N2CCN(C(=O)c3cc(F)cc(F)c3)CC2)nc1
InChIInChI=1S/C19H21F2N5O2/c1-2-22-19(28)24-16-3-4-17(23-12-16)25-5-7-26(8-6-25)18(27)13-9-14(20)11-15(21)10-13/h3-4,9-12H,2,5-8H2,1H3,(H2,22,24,28)
InChIKeyWSPJIQORYCYKTC-UHFFFAOYSA-N
XLogP2.46
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]-3-pyridinyl]-3-ethylurea
CID 42850139
N-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-methoxybenzamide
CID 46053044
N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 46157099
N-[6-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-2,2-dimethylpropanamide
CID 42856893
1-[6-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-3-(3-methylphenyl)urea
CID 46053438
2,4-difluoro-N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 46041854
ethyl 6-[4-(3-bromo-5-fluorobenzoyl)piperazin-1-yl]pyridine-3-carboxylate
CID 55718432
1-(2-chlorophenyl)-3-[6-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]urea
CID 46053467
N-[6-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 46041909
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109154708
1-pentyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]urea
CID 11328730
N-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 11530247

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-ethylurea?
The IUPAC name of 1-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-ethylurea (CID 46161079) is 1-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-ethylurea.
What is the SMILES notation for 1-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-ethylurea?
The canonical SMILES for 1-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-ethylurea is CCNC(=O)Nc1ccc(N2CCN(C(=O)c3cc(F)cc(F)c3)CC2)nc1.
What is the InChIKey of 1-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-ethylurea?
The InChIKey is WSPJIQORYCYKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O2/c1-2-22-19(28)24-16-3-4-17(23-12-16)25-5-7-26(8-6-25)18(27)13-9-14(20)11-15(21)10-13/h3-4,9-12H,2,5-8H2,1H3,(H2,22,24,28).
What are the key properties of 1-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-ethylurea?
1-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-ethylurea has a molecular weight of 389.41 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(3,5-difluorobenzoyl)piperazin-1-yl]-3-pyridinyl]-3-ethylurea is sourced from PubChem (CID 46161079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).