1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea

C14H20N4O2 — CID 118087553

IUPAC1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
SMILESCNC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C14H20N4O2/c1-15-14(20)16-12-5-3-11(4-6-12)13(19)18-9-7-17(2)8-10-18/h3-6H,7-10H2,1-2H3,(H2,15,16,20)
InChIKeyRZZARBFPSDKSEQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.83
Rot. Bonds2

About 1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea

1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea (PubChem CID 118087553) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea.

Molecular Properties

Compound Name1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
PubChem CID118087553
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea
SMILESCNC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1
InChIInChI=1S/C14H20N4O2/c1-15-14(20)16-12-5-3-11(4-6-12)13(19)18-9-7-17(2)8-10-18/h3-6H,7-10H2,1-2H3,(H2,15,16,20)
InChIKeyRZZARBFPSDKSEQ-UHFFFAOYSA-N
XLogP0.83
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea
CID 47326206
N-(4-methylphenyl)-4-(4-methylpiperazine-1-carbonyl)benzamide
CID 109046134
N-[4-(4-methylpiperazine-1-carbonyl)phenyl]formamide
CID 58761975
[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58968593
1-methyl-3-[4-[(1-methylpiperidin-4-yl)amino]phenyl]urea
CID 43744340
2-cyclopropyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 110609674
4-(4-methylpiperazine-1-carbonyl)benzoic acid;hydrochloride
CID 142705499
2-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]benzamide
CID 119946776
2-chloroethyl N-[4-(4-methylpiperazine-1-carbonyl)phenyl]carbamate
CID 108741130
4-(4-methylpiperazine-1-carbonyl)benzamide
CID 60645843
1-[4-(4-methylpiperazin-1-yl)butan-2-yl]-3-[4-(pyrrolidine-1-carbonyl)phenyl]urea
CID 86796846
7-amino-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide
CID 119861246

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea?
The IUPAC name of 1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea (CID 118087553) is 1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea.
What is the SMILES notation for 1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea?
The canonical SMILES for 1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea is CNC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1.
What is the InChIKey of 1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea?
The InChIKey is RZZARBFPSDKSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-15-14(20)16-12-5-3-11(4-6-12)13(19)18-9-7-17(2)8-10-18/h3-6H,7-10H2,1-2H3,(H2,15,16,20).
What are the key properties of 1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea?
1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea has a molecular weight of 276.34 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[4-(4-methylpiperazine-1-carbonyl)phenyl]urea is sourced from PubChem (CID 118087553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).