[2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea

C18H27N5O2 — CID 95725452

IUPAC[2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea
SMILESNC(=O)NCC(=O)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C18H27N5O2/c19-18(25)20-13-17(24)23-8-4-7-16(14-23)22-11-9-21(10-12-22)15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H3,19,20,25)/t16-/m0/s1
InChIKeyHJBGNMZMMPEXKK-INIZCTEOSA-N
MW345.45 g/mol
LogP0.47
Rot. Bonds4

About [2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea

[2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea (PubChem CID 95725452) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is [2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea.

Molecular Properties

Compound Name[2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea
PubChem CID95725452
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name[2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea
SMILESNC(=O)NCC(=O)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1
InChIInChI=1S/C18H27N5O2/c19-18(25)20-13-17(24)23-8-4-7-16(14-23)22-11-9-21(10-12-22)15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H3,19,20,25)/t16-/m0/s1
InChIKeyHJBGNMZMMPEXKK-INIZCTEOSA-N
XLogP0.47
TPSA81.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea 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

ethyl 2-[[(3R)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate
CID 42533742
ethyl 2-[[(3S)-3-(4-phenylpiperazin-1-yl)piperidine-1-carbonyl]amino]acetate
CID 42533744
N-[2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 42199365
3-methoxy-1-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]propan-1-one
CID 26405812
2-(4-methylsulfanylphenyl)-1-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethanone
CID 25274910
1-[(3R)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-hydroxyethanone
CID 95729472
3-[2-oxo-2-[(3R)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidine-2,4-dione
CID 42099253
2-(methylamino)-1-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]piperidin-1-yl]ethanone;dihydrochloride
CID 154892703
[2-oxo-2-[(3S)-3-(2-phenylacetyl)piperidin-1-yl]ethyl]urea
CID 95214767
N-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-3-pyrrolidin-1-ylpyrrolidine-1-carboxamide
CID 138038376
2-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-2-oxoacetamide
CID 95713635
1-[(3S)-3-[4-(3-chlorophenyl)piperazin-1-yl]piperidin-1-yl]-3-methylsulfanylpropan-1-one
CID 26337291

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea?
The IUPAC name of [2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea (CID 95725452) is [2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea.
What is the SMILES notation for [2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea?
The canonical SMILES for [2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea is NC(=O)NCC(=O)N1CCC[C@H](N2CCN(c3ccccc3)CC2)C1.
What is the InChIKey of [2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea?
The InChIKey is HJBGNMZMMPEXKK-INIZCTEOSA-N. The full InChI is InChI=1S/C18H27N5O2/c19-18(25)20-13-17(24)23-8-4-7-16(14-23)22-11-9-21(10-12-22)15-5-2-1-3-6-15/h1-3,5-6,16H,4,7-14H2,(H3,19,20,25)/t16-/m0/s1.
What are the key properties of [2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea?
[2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea has a molecular weight of 345.45 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(3S)-3-(4-phenylpiperazin-1-yl)piperidin-1-yl]ethyl]urea is sourced from PubChem (CID 95725452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).