[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)hexan-2-yl]urea

C16H25N5O2 — CID 120732477

IUPAC[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)hexan-2-yl]urea
SMILESCCCCC(NC(N)=O)C(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C16H25N5O2/c1-2-3-6-13(20-16(17)23)15(22)21-9-8-19-11-14(21)12-5-4-7-18-10-12/h4-5,7,10,13-14,19H,2-3,6,8-9,11H2,1H3,(H3,17,20,23)
InChIKeyCWAPLIFSNLRMAU-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.78
Rot. Bonds6

About [1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)hexan-2-yl]urea

[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)hexan-2-yl]urea (PubChem CID 120732477) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is [1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)hexan-2-yl]urea.

Molecular Properties

Compound Name[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)hexan-2-yl]urea
PubChem CID120732477
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)hexan-2-yl]urea
SMILESCCCCC(NC(N)=O)C(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C16H25N5O2/c1-2-3-6-13(20-16(17)23)15(22)21-9-8-19-11-14(21)12-5-4-7-18-10-12/h4-5,7,10,13-14,19H,2-3,6,8-9,11H2,1H3,(H3,17,20,23)
InChIKeyCWAPLIFSNLRMAU-UHFFFAOYSA-N
XLogP0.78
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze [1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)hexan-2-yl]urea with MolForge

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Related Compounds

[1-[2-(4-ethylphenyl)piperazin-1-yl]-1-oxohexan-2-yl]urea
CID 120741607
2-ethyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one
CID 120731770
2-(4-butylphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120730121
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
2-methyl-3-phenylsulfanyl-1-(2-pyridin-3-ylpiperazin-1-yl)propan-1-one
CID 120730946
2-pentylsulfonyl-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731933
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
N-[(2S)-1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]cyclohexanecarboxamide
CID 120731000
N-[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)propan-2-yl]-2-phenoxyacetamide
CID 120732203
(4-propylphenyl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729165
4-oxo-N,N-dipropyl-4-(2-pyridin-3-ylpiperazin-1-yl)butanamide;hydrochloride
CID 120730453
(2-pyridin-3-ylpiperazin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone;hydrochloride
CID 120730545

Frequently Asked Questions

What is the IUPAC name of [1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)hexan-2-yl]urea?
The IUPAC name of [1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)hexan-2-yl]urea (CID 120732477) is [1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)hexan-2-yl]urea.
What is the SMILES notation for [1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)hexan-2-yl]urea?
The canonical SMILES for [1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)hexan-2-yl]urea is CCCCC(NC(N)=O)C(=O)N1CCNCC1c1cccnc1.
What is the InChIKey of [1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)hexan-2-yl]urea?
The InChIKey is CWAPLIFSNLRMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-2-3-6-13(20-16(17)23)15(22)21-9-8-19-11-14(21)12-5-4-7-18-10-12/h4-5,7,10,13-14,19H,2-3,6,8-9,11H2,1H3,(H3,17,20,23).
What are the key properties of [1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)hexan-2-yl]urea?
[1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)hexan-2-yl]urea has a molecular weight of 319.41 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-oxo-1-(2-pyridin-3-ylpiperazin-1-yl)hexan-2-yl]urea is sourced from PubChem (CID 120732477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).