1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea

C14H22N4O — CID 43744340

IUPAC1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea
SMILESCNC(=O)Nc1ccc(NC2CCN(C)CC2)cc1
InChIInChI=1S/C14H22N4O/c1-15-14(19)17-12-5-3-11(4-6-12)16-13-7-9-18(2)10-8-13/h3-6,13,16H,7-10H2,1-2H3,(H2,15,17,19)
InChIKeyFUFGPZUFQGZGMB-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.94
Rot. Bonds3

About 1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea

1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea (PubChem CID 43744340) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea.

Molecular Properties

Compound Name1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea
PubChem CID43744340
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea
SMILESCNC(=O)Nc1ccc(NC2CCN(C)CC2)cc1
InChIInChI=1S/C14H22N4O/c1-15-14(19)17-12-5-3-11(4-6-12)16-13-7-9-18(2)10-8-13/h3-6,13,16H,7-10H2,1-2H3,(H2,15,17,19)
InChIKeyFUFGPZUFQGZGMB-UHFFFAOYSA-N
XLogP1.94
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea?
The IUPAC name of 1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea (CID 43744340) is 1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea.
What is the SMILES notation for 1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea?
The canonical SMILES for 1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea is CNC(=O)Nc1ccc(NC2CCN(C)CC2)cc1.
What is the InChIKey of 1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea?
The InChIKey is FUFGPZUFQGZGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-15-14(19)17-12-5-3-11(4-6-12)16-13-7-9-18(2)10-8-13/h3-6,13,16H,7-10H2,1-2H3,(H2,15,17,19).
What are the key properties of 1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea?
1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea has a molecular weight of 262.36 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea is sourced from PubChem (CID 43744340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).