1-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea

C23H30N4O3 — CID 9273655

IUPAC1-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea
SMILESCOc1cccc(N2CCN(C(=O)c3ccc(CNC(=O)NC(C)C)cc3)CC2)c1
InChIInChI=1S/C23H30N4O3/c1-17(2)25-23(29)24-16-18-7-9-19(10-8-18)22(28)27-13-11-26(12-14-27)20-5-4-6-21(15-20)30-3/h4-10,15,17H,11-14,16H2,1-3H3,(H2,24,25,29)
InChIKeyZOIVUMAPIBRKAU-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.87
Rot. Bonds6

About 1-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea

1-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea (PubChem CID 9273655) has the molecular formula C23H30N4O3 and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea
PubChem CID9273655
Molecular FormulaC23H30N4O3
Molecular Weight410.52 g/mol
Exact Mass410.23
IUPAC Name1-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea
SMILESCOc1cccc(N2CCN(C(=O)c3ccc(CNC(=O)NC(C)C)cc3)CC2)c1
InChIInChI=1S/C23H30N4O3/c1-17(2)25-23(29)24-16-18-7-9-19(10-8-18)22(28)27-13-11-26(12-14-27)20-5-4-6-21(15-20)30-3/h4-10,15,17H,11-14,16H2,1-3H3,(H2,24,25,29)
InChIKeyZOIVUMAPIBRKAU-UHFFFAOYSA-N
XLogP2.87
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]acetamide
CID 9372260
(4-cyclohexylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 46562920
[4-(dimethylamino)phenyl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38574396
[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]urea
CID 31912991
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043128
N-ethyl-4-[[[C-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]methyl]benzamide;hydroiodide
CID 111289950
(3,4-dimethylphenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 51143320
4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043150
[4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 31911957
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 46561331
4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N'-methylpiperazine-1-carboximidamide
CID 111290635
N-[(3,4-dimethoxyphenyl)methyl]-4-(3-methoxyphenyl)piperazine-1-carboxamide
CID 38210733

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea (CID 9273655) is 1-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea is COc1cccc(N2CCN(C(=O)c3ccc(CNC(=O)NC(C)C)cc3)CC2)c1.
What is the InChIKey of 1-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea?
The InChIKey is ZOIVUMAPIBRKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O3/c1-17(2)25-23(29)24-16-18-7-9-19(10-8-18)22(28)27-13-11-26(12-14-27)20-5-4-6-21(15-20)30-3/h4-10,15,17H,11-14,16H2,1-3H3,(H2,24,25,29).
What are the key properties of 1-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea?
1-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea has a molecular weight of 410.52 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea is sourced from PubChem (CID 9273655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).