1-(1-piperidin-1-ylpropan-2-yl)-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea

C21H34N4O3S — CID 112829659

IUPAC1-(1-piperidin-1-ylpropan-2-yl)-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
SMILESCC(CN1CCCCC1)NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H34N4O3S/c1-18(17-24-12-6-2-7-13-24)23-21(26)22-16-19-10-4-5-11-20(19)29(27,28)25-14-8-3-9-15-25/h4-5,10-11,18H,2-3,6-9,12-17H2,1H3,(H2,22,23,26)
InChIKeyNZAWIXKSOXOKND-UHFFFAOYSA-N
MW422.60 g/mol
LogP2.53
Rot. Bonds7

About 1-(1-piperidin-1-ylpropan-2-yl)-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea

1-(1-piperidin-1-ylpropan-2-yl)-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea (PubChem CID 112829659) has the molecular formula C21H34N4O3S and a molecular weight of 422.60 g/mol. Its IUPAC name is 1-(1-piperidin-1-ylpropan-2-yl)-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(1-piperidin-1-ylpropan-2-yl)-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
PubChem CID112829659
Molecular FormulaC21H34N4O3S
Molecular Weight422.60 g/mol
Exact Mass422.24
IUPAC Name1-(1-piperidin-1-ylpropan-2-yl)-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
SMILESCC(CN1CCCCC1)NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H34N4O3S/c1-18(17-24-12-6-2-7-13-24)23-21(26)22-16-19-10-4-5-11-20(19)29(27,28)25-14-8-3-9-15-25/h4-5,10-11,18H,2-3,6-9,12-17H2,1H3,(H2,22,23,26)
InChIKeyNZAWIXKSOXOKND-UHFFFAOYSA-N
XLogP2.53
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(1-piperidin-1-ylpropan-2-yl)-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea with MolForge

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Related Compounds

1-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 25491593
1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 36967089
2-methyl-1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-propan-2-ylguanidine
CID 111123793
2-methyl-1-[(2-piperidin-1-ylsulfonylphenyl)methyl]-3-propan-2-ylguanidine;hydroiodide
CID 111123792
1-[(1S)-1-(4-methylphenyl)propyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 25487466
1-[furan-2-yl(phenyl)methyl]-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea
CID 112834645
2-amino-3-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pentanamide;hydrochloride
CID 119700333
1-benzyl-2-methyl-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]guanidine
CID 110952470
N',3,3-trimethyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111738282
N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrrolidine-3-carboxamide
CID 119700344
3-amino-2-methyl-N-[[2-(4-methylpiperazin-1-yl)sulfonylphenyl]methyl]butanamide
CID 120504037
1-methyl-N-[(2-piperidin-1-ylsulfonylphenyl)methyl]pyrazole-4-carboxamide
CID 51321501

Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-1-ylpropan-2-yl)-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea?
The IUPAC name of 1-(1-piperidin-1-ylpropan-2-yl)-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea (CID 112829659) is 1-(1-piperidin-1-ylpropan-2-yl)-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea.
What is the SMILES notation for 1-(1-piperidin-1-ylpropan-2-yl)-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea?
The canonical SMILES for 1-(1-piperidin-1-ylpropan-2-yl)-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea is CC(CN1CCCCC1)NC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of 1-(1-piperidin-1-ylpropan-2-yl)-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea?
The InChIKey is NZAWIXKSOXOKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O3S/c1-18(17-24-12-6-2-7-13-24)23-21(26)22-16-19-10-4-5-11-20(19)29(27,28)25-14-8-3-9-15-25/h4-5,10-11,18H,2-3,6-9,12-17H2,1H3,(H2,22,23,26).
What are the key properties of 1-(1-piperidin-1-ylpropan-2-yl)-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea?
1-(1-piperidin-1-ylpropan-2-yl)-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea has a molecular weight of 422.60 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-1-ylpropan-2-yl)-3-[(2-piperidin-1-ylsulfonylphenyl)methyl]urea is sourced from PubChem (CID 112829659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).