1-[(3S)-1-methylpiperidin-3-yl]-3-(4-phenyldiazenylphenyl)urea

C19H23N5O — CID 95354595

IUPAC1-[(3S)-1-methylpiperidin-3-yl]-3-(4-phenyldiazenylphenyl)urea
SMILESCN1CCC[C@H](NC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1
InChIInChI=1S/C19H23N5O/c1-24-13-5-8-18(14-24)21-19(25)20-15-9-11-17(12-10-15)23-22-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H2,20,21,25)/b23-22+/t18-/m0/s1
InChIKeyZCSYDWLTHVOBJU-CCWVLBSLSA-N
MW337.43 g/mol
LogP4.32
Rot. Bonds4

About 1-[(3S)-1-methylpiperidin-3-yl]-3-(4-phenyldiazenylphenyl)urea

1-[(3S)-1-methylpiperidin-3-yl]-3-(4-phenyldiazenylphenyl)urea (PubChem CID 95354595) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-[(3S)-1-methylpiperidin-3-yl]-3-(4-phenyldiazenylphenyl)urea.

Molecular Properties

Compound Name1-[(3S)-1-methylpiperidin-3-yl]-3-(4-phenyldiazenylphenyl)urea
PubChem CID95354595
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-[(3S)-1-methylpiperidin-3-yl]-3-(4-phenyldiazenylphenyl)urea
SMILESCN1CCC[C@H](NC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1
InChIInChI=1S/C19H23N5O/c1-24-13-5-8-18(14-24)21-19(25)20-15-9-11-17(12-10-15)23-22-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H2,20,21,25)/b23-22+/t18-/m0/s1
InChIKeyZCSYDWLTHVOBJU-CCWVLBSLSA-N
XLogP4.32
TPSA69.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-3-(1-methylpiperidin-3-yl)urea
CID 61222902
2-hydroxy-4-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
CID 61223257
1-(1-methylazetidin-3-yl)-3-phenylurea
CID 70794092
2-methyl-3-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
CID 62948908
3-hydroxy-4-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
CID 61223435
5-methyl-2-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
CID 61223094
1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038
4-fluoro-3-[(1-methylpiperidin-3-yl)carbamoylamino]benzoic acid
CID 61223434
[(3R)-1-methylpiperidin-3-yl]carbamic acid
CID 175691082
[(3S)-1-methylpiperidin-3-yl]carbamic acid
CID 172824480
2-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 47344376
1-[3-fluoro-5-(trifluoromethyl)phenyl]-3-(1-methylpiperidin-3-yl)urea
CID 77452274

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-methylpiperidin-3-yl]-3-(4-phenyldiazenylphenyl)urea?
The IUPAC name of 1-[(3S)-1-methylpiperidin-3-yl]-3-(4-phenyldiazenylphenyl)urea (CID 95354595) is 1-[(3S)-1-methylpiperidin-3-yl]-3-(4-phenyldiazenylphenyl)urea.
What is the SMILES notation for 1-[(3S)-1-methylpiperidin-3-yl]-3-(4-phenyldiazenylphenyl)urea?
The canonical SMILES for 1-[(3S)-1-methylpiperidin-3-yl]-3-(4-phenyldiazenylphenyl)urea is CN1CCC[C@H](NC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)C1.
What is the InChIKey of 1-[(3S)-1-methylpiperidin-3-yl]-3-(4-phenyldiazenylphenyl)urea?
The InChIKey is ZCSYDWLTHVOBJU-CCWVLBSLSA-N. The full InChI is InChI=1S/C19H23N5O/c1-24-13-5-8-18(14-24)21-19(25)20-15-9-11-17(12-10-15)23-22-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H2,20,21,25)/b23-22+/t18-/m0/s1.
What are the key properties of 1-[(3S)-1-methylpiperidin-3-yl]-3-(4-phenyldiazenylphenyl)urea?
1-[(3S)-1-methylpiperidin-3-yl]-3-(4-phenyldiazenylphenyl)urea has a molecular weight of 337.43 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-methylpiperidin-3-yl]-3-(4-phenyldiazenylphenyl)urea is sourced from PubChem (CID 95354595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).