[(2S)-1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea

C24H32N4O2 — CID 31615823

IUPAC[(2S)-1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea
SMILESCC(C)C[C@H](NC(N)=O)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H32N4O2/c1-18(2)17-21(26-24(25)30)23(29)28-15-13-27(14-16-28)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21-22H,13-17H2,1-2H3,(H3,25,26,30)/t21-/m0/s1
InChIKeyASYYJXHEVWKFQT-NRFANRHFSA-N
MW408.55 g/mol
LogP3.00
Rot. Bonds7

About [(2S)-1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea

[(2S)-1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea (PubChem CID 31615823) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is [(2S)-1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea.

Molecular Properties

Compound Name[(2S)-1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea
PubChem CID31615823
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name[(2S)-1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea
SMILESCC(C)C[C@H](NC(N)=O)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C24H32N4O2/c1-18(2)17-21(26-24(25)30)23(29)28-15-13-27(14-16-28)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21-22H,13-17H2,1-2H3,(H3,25,26,30)/t21-/m0/s1
InChIKeyASYYJXHEVWKFQT-NRFANRHFSA-N
XLogP3.00
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2S)-1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea with MolForge

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Related Compounds

N-[1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]azepane-1-carboxamide
CID 23388414
sodium (2S,3S)-3-[[(2S)-1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]carbamoyl]oxirane-2-carboxylate
CID 88679471
N-[1-(4-benzhydrylpiperazin-1-yl)-1-oxopentan-2-yl]-3-methylbutanamide
CID 42698664
[4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]urea
CID 60634818
ethyl N-[1-(4-benzhydrylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]carbamate
CID 55648114
4-benzhydryl-N-(2-methylpropyl)piperazine-1-carboxamide
CID 108867265
N-[(2S)-4-methyl-1-oxo-1-pyrrolidin-1-ylpentan-2-yl]-2-phenylacetamide
CID 110351358
1-[1-(4-benzhydrylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-3-ethylurea
CID 42697437
[(2S)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-methyl-1-oxopentan-2-yl]urea
CID 9204321
3-(4-benzhydrylpiperazin-1-yl)-N-propan-2-ylpropanamide
CID 33177312
5-(4-benzhydrylpiperazin-1-yl)-3-methyl-5-oxopentanamide
CID 70074590
bis(4-benzhydrylpiperazin-1-yl)methanone
CID 17170426

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea?
The IUPAC name of [(2S)-1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea (CID 31615823) is [(2S)-1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea.
What is the SMILES notation for [(2S)-1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea?
The canonical SMILES for [(2S)-1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea is CC(C)C[C@H](NC(N)=O)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of [(2S)-1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea?
The InChIKey is ASYYJXHEVWKFQT-NRFANRHFSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-18(2)17-21(26-24(25)30)23(29)28-15-13-27(14-16-28)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,21-22H,13-17H2,1-2H3,(H3,25,26,30)/t21-/m0/s1.
What are the key properties of [(2S)-1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea?
[(2S)-1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea has a molecular weight of 408.55 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-benzhydrylpiperazin-1-yl)-4-methyl-1-oxopentan-2-yl]urea is sourced from PubChem (CID 31615823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).