[4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea

C21H26N4O3 — CID 31730129

IUPAC[4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea
SMILESCOc1ccc(CN2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)cc1
InChIInChI=1S/C21H26N4O3/c1-28-19-8-4-17(5-9-19)15-24-10-12-25(13-11-24)20(26)18-6-2-16(3-7-18)14-23-21(22)27/h2-9H,10-15H2,1H3,(H3,22,23,27)
InChIKeyOHMNCQKTOJHUQQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.82
Rot. Bonds6

About [4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea

[4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea (PubChem CID 31730129) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is [4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea.

Molecular Properties

Compound Name[4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea
PubChem CID31730129
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name[4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea
SMILESCOc1ccc(CN2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)cc1
InChIInChI=1S/C21H26N4O3/c1-28-19-8-4-17(5-9-19)15-24-10-12-25(13-11-24)20(26)18-6-2-16(3-7-18)14-23-21(22)27/h2-9H,10-15H2,1H3,(H3,22,23,27)
InChIKeyOHMNCQKTOJHUQQ-UHFFFAOYSA-N
XLogP1.82
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea with MolForge

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Related Compounds

N,4-bis[(4-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27516945
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;oxalic acid
CID 17366074
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;oxalic acid
CID 17384978
[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 51292547
(3-methoxyphenyl)-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 780195
[4-[(4-hydroxy-3,5-dimethoxyphenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 997986
[4-(4-methoxyphenyl)piperazin-1-yl]-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]methanone
CID 43922370
N-benzyl-4-(4-methoxybenzoyl)-1,4-diazepane-1-carboxamide
CID 23935697
[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-[4-(1,3-thiazol-4-ylmethoxy)phenyl]methanone
CID 24517179
(4-aminophenyl)-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]methanone
CID 118666758
[4-[[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 32641638
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398874

Frequently Asked Questions

What is the IUPAC name of [4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea?
The IUPAC name of [4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea (CID 31730129) is [4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea.
What is the SMILES notation for [4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea?
The canonical SMILES for [4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea is COc1ccc(CN2CCN(C(=O)c3ccc(CNC(N)=O)cc3)CC2)cc1.
What is the InChIKey of [4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea?
The InChIKey is OHMNCQKTOJHUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c1-28-19-8-4-17(5-9-19)15-24-10-12-25(13-11-24)20(26)18-6-2-16(3-7-18)14-23-21(22)27/h2-9H,10-15H2,1H3,(H3,22,23,27).
What are the key properties of [4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea?
[4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea has a molecular weight of 382.46 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea is sourced from PubChem (CID 31730129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).