1-[(1R,2R)-2-[(1-benzylpiperidin-3-yl)amino]cyclohexyl]-3-phenylurea

C25H34N4O — CID 71235656

IUPAC1-[(1R,2R)-2-[(1-benzylpiperidin-3-yl)amino]cyclohexyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C25H34N4O/c30-25(27-21-12-5-2-6-13-21)28-24-16-8-7-15-23(24)26-22-14-9-17-29(19-22)18-20-10-3-1-4-11-20/h1-6,10-13,22-24,26H,7-9,14-19H2,(H2,27,28,30)/t22?,23-,24-/m1/s1
InChIKeyQWUWCQVNVZRYRE-HEYJASKDSA-N
MW406.57 g/mol
LogP4.37
Rot. Bonds6

About 1-[(1R,2R)-2-[(1-benzylpiperidin-3-yl)amino]cyclohexyl]-3-phenylurea

1-[(1R,2R)-2-[(1-benzylpiperidin-3-yl)amino]cyclohexyl]-3-phenylurea (PubChem CID 71235656) has the molecular formula C25H34N4O and a molecular weight of 406.57 g/mol. Its IUPAC name is 1-[(1R,2R)-2-[(1-benzylpiperidin-3-yl)amino]cyclohexyl]-3-phenylurea.

Molecular Properties

Compound Name1-[(1R,2R)-2-[(1-benzylpiperidin-3-yl)amino]cyclohexyl]-3-phenylurea
PubChem CID71235656
Molecular FormulaC25H34N4O
Molecular Weight406.57 g/mol
Exact Mass406.27
IUPAC Name1-[(1R,2R)-2-[(1-benzylpiperidin-3-yl)amino]cyclohexyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C25H34N4O/c30-25(27-21-12-5-2-6-13-21)28-24-16-8-7-15-23(24)26-22-14-9-17-29(19-22)18-20-10-3-1-4-11-20/h1-6,10-13,22-24,26H,7-9,14-19H2,(H2,27,28,30)/t22?,23-,24-/m1/s1
InChIKeyQWUWCQVNVZRYRE-HEYJASKDSA-N
XLogP4.37
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.57
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1R,2R)-2-[(1-benzylpiperidin-3-yl)amino]cyclohexyl]-3-phenylurea 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

N-(1-benzylpiperidin-3-yl)-4-(cyclopropylcarbamoylamino)benzamide
CID 60508760
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
1-[(3R,4R)-1-benzyl-4-(hydroxymethyl)piperidin-3-yl]-3-phenylurea
CID 98775527
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
CID 47081886
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035
2-[[(3S)-1-benzylpiperidin-3-yl]amino]acetic acid
CID 66564975
1-benzyl-N-(thian-4-yl)piperidin-3-amine
CID 60761750
1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842
N-(1-benzylpiperidin-3-yl)-3-phenylpropanamide
CID 42958724
1-[[(1-benzylpiperidin-3-yl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 113309373
N-(1-benzylpiperidin-3-yl)butanamide
CID 60756097

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-[(1-benzylpiperidin-3-yl)amino]cyclohexyl]-3-phenylurea?
The IUPAC name of 1-[(1R,2R)-2-[(1-benzylpiperidin-3-yl)amino]cyclohexyl]-3-phenylurea (CID 71235656) is 1-[(1R,2R)-2-[(1-benzylpiperidin-3-yl)amino]cyclohexyl]-3-phenylurea.
What is the SMILES notation for 1-[(1R,2R)-2-[(1-benzylpiperidin-3-yl)amino]cyclohexyl]-3-phenylurea?
The canonical SMILES for 1-[(1R,2R)-2-[(1-benzylpiperidin-3-yl)amino]cyclohexyl]-3-phenylurea is O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-[(1R,2R)-2-[(1-benzylpiperidin-3-yl)amino]cyclohexyl]-3-phenylurea?
The InChIKey is QWUWCQVNVZRYRE-HEYJASKDSA-N. The full InChI is InChI=1S/C25H34N4O/c30-25(27-21-12-5-2-6-13-21)28-24-16-8-7-15-23(24)26-22-14-9-17-29(19-22)18-20-10-3-1-4-11-20/h1-6,10-13,22-24,26H,7-9,14-19H2,(H2,27,28,30)/t22?,23-,24-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-[(1-benzylpiperidin-3-yl)amino]cyclohexyl]-3-phenylurea?
1-[(1R,2R)-2-[(1-benzylpiperidin-3-yl)amino]cyclohexyl]-3-phenylurea has a molecular weight of 406.57 g/mol, XLogP of 4.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-[(1-benzylpiperidin-3-yl)amino]cyclohexyl]-3-phenylurea is sourced from PubChem (CID 71235656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).