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

C24H32N4O2 — CID 9162618

IUPAC1-[[4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea
SMILESCc1ccccc1CN1CCN(C(=O)c2ccc(CNC(=O)NC(C)C)cc2)CC1
InChIInChI=1S/C24H32N4O2/c1-18(2)26-24(30)25-16-20-8-10-21(11-9-20)23(29)28-14-12-27(13-15-28)17-22-7-5-4-6-19(22)3/h4-11,18H,12-17H2,1-3H3,(H2,25,26,30)
InChIKeyDKUCYSAHODYLAN-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.16
Rot. Bonds6

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

1-[[4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea (PubChem CID 9162618) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 1-[[4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[[4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea
PubChem CID9162618
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name1-[[4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea
SMILESCc1ccccc1CN1CCN(C(=O)c2ccc(CNC(=O)NC(C)C)cc2)CC1
InChIInChI=1S/C24H32N4O2/c1-18(2)26-24(30)25-16-20-8-10-21(11-9-20)23(29)28-14-12-27(13-15-28)17-22-7-5-4-6-19(22)3/h4-11,18H,12-17H2,1-3H3,(H2,25,26,30)
InChIKeyDKUCYSAHODYLAN-UHFFFAOYSA-N
XLogP3.16
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-propan-2-yl-3-[[4-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]urea
CID 31364987
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone
CID 780102
1-benzyl-3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]urea
CID 27841214
methyl 4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]benzoate
CID 8642324
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366470
N-(2-chlorophenyl)-2-[4-[4-[(propan-2-ylcarbamoylamino)methyl]benzoyl]piperazin-1-yl]acetamide
CID 31333498
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 8642477
N-[(4-fluorophenyl)methyl]-4-[(2-methylphenyl)methyl]piperazine-1-carboxamide
CID 38159048
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 8641686
1-[[4-[4-(3,4-dimethylphenyl)sulfonylpiperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea
CID 38124186
[4-[(4-methoxyphenoxy)methyl]phenyl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325642
1-[[4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea
CID 9273655

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea?
The IUPAC name of 1-[[4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea (CID 9162618) is 1-[[4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[[4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea?
The canonical SMILES for 1-[[4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea is Cc1ccccc1CN1CCN(C(=O)c2ccc(CNC(=O)NC(C)C)cc2)CC1.
What is the InChIKey of 1-[[4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea?
The InChIKey is DKUCYSAHODYLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-18(2)26-24(30)25-16-20-8-10-21(11-9-20)23(29)28-14-12-27(13-15-28)17-22-7-5-4-6-19(22)3/h4-11,18H,12-17H2,1-3H3,(H2,25,26,30).
What are the key properties of 1-[[4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea?
1-[[4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea has a molecular weight of 408.55 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]methyl]-3-propan-2-ylurea is sourced from PubChem (CID 9162618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).