1-ethyl-1-(1-methylpiperidin-4-yl)-3-[(4-nitrosophenyl)methyl]urea

C16H24N4O2 — CID 142021505

IUPAC1-ethyl-1-(1-methylpiperidin-4-yl)-3-[(4-nitrosophenyl)methyl]urea
SMILESCCN(C(=O)NCc1ccc(N=O)cc1)C1CCN(C)CC1
InChIInChI=1S/C16H24N4O2/c1-3-20(15-8-10-19(2)11-9-15)16(21)17-12-13-4-6-14(18-22)7-5-13/h4-7,15H,3,8-12H2,1-2H3,(H,17,21)
InChIKeyDJETURRAEGSQKK-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.71
Rot. Bonds5

About 1-ethyl-1-(1-methylpiperidin-4-yl)-3-[(4-nitrosophenyl)methyl]urea

1-ethyl-1-(1-methylpiperidin-4-yl)-3-[(4-nitrosophenyl)methyl]urea (PubChem CID 142021505) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-ethyl-1-(1-methylpiperidin-4-yl)-3-[(4-nitrosophenyl)methyl]urea.

Molecular Properties

Compound Name1-ethyl-1-(1-methylpiperidin-4-yl)-3-[(4-nitrosophenyl)methyl]urea
PubChem CID142021505
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-ethyl-1-(1-methylpiperidin-4-yl)-3-[(4-nitrosophenyl)methyl]urea
SMILESCCN(C(=O)NCc1ccc(N=O)cc1)C1CCN(C)CC1
InChIInChI=1S/C16H24N4O2/c1-3-20(15-8-10-19(2)11-9-15)16(21)17-12-13-4-6-14(18-22)7-5-13/h4-7,15H,3,8-12H2,1-2H3,(H,17,21)
InChIKeyDJETURRAEGSQKK-UHFFFAOYSA-N
XLogP2.71
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 142021620
3-[(4-fluorophenyl)methyl]-1-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 68778887
1-[(4-fluoro-3-hydroxyphenyl)methyl]-3-[(4-hydroxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)urea
CID 46935341
3-benzyl-1-(2-methylcyclopropyl)-1-(1-methylpiperidin-4-yl)urea
CID 142021467
1-(1-benzylpyrrolidin-3-yl)-1-ethyl-3-[(4-fluorophenyl)methyl]urea
CID 53234558
1-(1-benzylpyrrolidin-3-yl)-3-[(3,4-dichlorophenyl)methyl]-1-ethylurea
CID 53234320
1-(1-benzylpyrrolidin-3-yl)-3-[(3,4-difluorophenyl)methyl]-1-ethylurea
CID 123920650
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
3-benzyl-1-ethyl-1-[1-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]piperidin-4-yl]urea
CID 67038237
methyl 3-[4-[[[(4-fluorophenyl)methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]methyl]phenoxy]-2-methylpropanoate
CID 46909551
4-[[[(1,3-dimethylpiperidin-4-yl)-methylcarbamoyl]amino]methyl]-N,N-diethylbenzamide
CID 136513710
1-[(4-fluorophenyl)methyl]-3-[[4-(2-methylbut-3-enoxy)phenyl]methyl]-1-(1-methylpiperidin-4-yl)urea
CID 143567878

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-(1-methylpiperidin-4-yl)-3-[(4-nitrosophenyl)methyl]urea?
The IUPAC name of 1-ethyl-1-(1-methylpiperidin-4-yl)-3-[(4-nitrosophenyl)methyl]urea (CID 142021505) is 1-ethyl-1-(1-methylpiperidin-4-yl)-3-[(4-nitrosophenyl)methyl]urea.
What is the SMILES notation for 1-ethyl-1-(1-methylpiperidin-4-yl)-3-[(4-nitrosophenyl)methyl]urea?
The canonical SMILES for 1-ethyl-1-(1-methylpiperidin-4-yl)-3-[(4-nitrosophenyl)methyl]urea is CCN(C(=O)NCc1ccc(N=O)cc1)C1CCN(C)CC1.
What is the InChIKey of 1-ethyl-1-(1-methylpiperidin-4-yl)-3-[(4-nitrosophenyl)methyl]urea?
The InChIKey is DJETURRAEGSQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-3-20(15-8-10-19(2)11-9-15)16(21)17-12-13-4-6-14(18-22)7-5-13/h4-7,15H,3,8-12H2,1-2H3,(H,17,21).
What are the key properties of 1-ethyl-1-(1-methylpiperidin-4-yl)-3-[(4-nitrosophenyl)methyl]urea?
1-ethyl-1-(1-methylpiperidin-4-yl)-3-[(4-nitrosophenyl)methyl]urea has a molecular weight of 304.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-(1-methylpiperidin-4-yl)-3-[(4-nitrosophenyl)methyl]urea is sourced from PubChem (CID 142021505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).