1-propan-2-yl-3-[[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]urea

C26H36N4O2 — CID 31364987

IUPAC1-propan-2-yl-3-[[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]urea
SMILESCC(C)NC(=O)NCc1ccc(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C26H36N4O2/c1-19(2)23-9-7-22(8-10-23)18-29-13-15-30(16-14-29)25(31)24-11-5-21(6-12-24)17-27-26(32)28-20(3)4/h5-12,19-20H,13-18H2,1-4H3,(H2,27,28,32)
InChIKeyCXKPUUUMZBYNGR-UHFFFAOYSA-N
MW436.60 g/mol
LogP3.98
Rot. Bonds7

About 1-propan-2-yl-3-[[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]urea

1-propan-2-yl-3-[[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]urea (PubChem CID 31364987) has the molecular formula C26H36N4O2 and a molecular weight of 436.60 g/mol. Its IUPAC name is 1-propan-2-yl-3-[[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]urea
PubChem CID31364987
Molecular FormulaC26H36N4O2
Molecular Weight436.60 g/mol
Exact Mass436.28
IUPAC Name1-propan-2-yl-3-[[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]urea
SMILESCC(C)NC(=O)NCc1ccc(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1
InChIInChI=1S/C26H36N4O2/c1-19(2)23-9-7-22(8-10-23)18-29-13-15-30(16-14-29)25(31)24-11-5-21(6-12-24)17-27-26(32)28-20(3)4/h5-12,19-20H,13-18H2,1-4H3,(H2,27,28,32)
InChIKeyCXKPUUUMZBYNGR-UHFFFAOYSA-N
XLogP3.98
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.60
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-propan-2-yl-3-[[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]urea with MolForge

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Related Compounds

1-[[4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea
CID 9162618
N-(2-chlorophenyl)-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperazin-1-yl]acetamide
CID 31333498
ethyl N-[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]carbamate
CID 9183800
(3,4-dimethoxyphenyl)-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 9109670
methyl 4-[[[2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetyl]amino]methyl]benzoate
CID 9300602
1-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea
CID 9273655
(4-propan-2-ylphenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 110709119
1-[[4-[3-(methylamino)piperidine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea;hydrochloride
CID 119491018
6-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 31281845
1-[[4-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea
CID 38124186
[4-[4-[(4-methoxyphenyl)methyl]piperazine-1-carbonyl]phenyl]methylurea
CID 31730129
1-[[4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]methyl]-3-propan-2-ylurea;hydrochloride
CID 120815264

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]urea?
The IUPAC name of 1-propan-2-yl-3-[[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]urea (CID 31364987) is 1-propan-2-yl-3-[[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]urea?
The canonical SMILES for 1-propan-2-yl-3-[[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]urea is CC(C)NC(=O)NCc1ccc(C(=O)N2CCN(Cc3ccc(C(C)C)cc3)CC2)cc1.
What is the InChIKey of 1-propan-2-yl-3-[[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]urea?
The InChIKey is CXKPUUUMZBYNGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O2/c1-19(2)23-9-7-22(8-10-23)18-29-13-15-30(16-14-29)25(31)24-11-5-21(6-12-24)17-27-26(32)28-20(3)4/h5-12,19-20H,13-18H2,1-4H3,(H2,27,28,32).
What are the key properties of 1-propan-2-yl-3-[[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]urea?
1-propan-2-yl-3-[[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]urea has a molecular weight of 436.60 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]urea is sourced from PubChem (CID 31364987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).