1-[1-[2-(1-benzyl-3-hydroxypiperidin-3-yl)acetyl]piperidin-4-yl]-3-methylurea

C21H32N4O3 — CID 146134068

IUPAC1-[1-[2-(1-benzyl-3-hydroxypiperidin-3-yl)acetyl]piperidin-4-yl]-3-methylurea
SMILESCNC(=O)NC1CCN(C(=O)CC2(O)CCCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C21H32N4O3/c1-22-20(27)23-18-8-12-25(13-9-18)19(26)14-21(28)10-5-11-24(16-21)15-17-6-3-2-4-7-17/h2-4,6-7,18,28H,5,8-16H2,1H3,(H2,22,23,27)
InChIKeySPLWECZQMGZMND-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.32
Rot. Bonds5

About 1-[1-[2-(1-benzyl-3-hydroxypiperidin-3-yl)acetyl]piperidin-4-yl]-3-methylurea

1-[1-[2-(1-benzyl-3-hydroxypiperidin-3-yl)acetyl]piperidin-4-yl]-3-methylurea (PubChem CID 146134068) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 1-[1-[2-(1-benzyl-3-hydroxypiperidin-3-yl)acetyl]piperidin-4-yl]-3-methylurea.

Molecular Properties

Compound Name1-[1-[2-(1-benzyl-3-hydroxypiperidin-3-yl)acetyl]piperidin-4-yl]-3-methylurea
PubChem CID146134068
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name1-[1-[2-(1-benzyl-3-hydroxypiperidin-3-yl)acetyl]piperidin-4-yl]-3-methylurea
SMILESCNC(=O)NC1CCN(C(=O)CC2(O)CCCN(Cc3ccccc3)C2)CC1
InChIInChI=1S/C21H32N4O3/c1-22-20(27)23-18-8-12-25(13-9-18)19(26)14-21(28)10-5-11-24(16-21)15-17-6-3-2-4-7-17/h2-4,6-7,18,28H,5,8-16H2,1H3,(H2,22,23,27)
InChIKeySPLWECZQMGZMND-UHFFFAOYSA-N
XLogP1.32
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[1-[2-(1-benzyl-3-hydroxypiperidin-3-yl)acetyl]piperidin-4-yl]-3-methylurea with MolForge

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 110902615
2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-but-2-ynylacetamide
CID 126815363
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
1-(1-benzylpiperidin-4-yl)-3-(1-methylcyclobutyl)urea
CID 136517668
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-benzyl-3-(methylamino)piperidine-3-carboxylic acid
CID 43753689
1-(1-benzylpiperidin-3-yl)-3-cyclobutylurea
CID 115617829
1-benzyl-3-[1-(3-methylbutanoyl)piperidin-4-yl]urea
CID 47085415
1-(1-benzylpiperidin-4-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 38886852
2-(1-benzyl-3-hydroxypiperidin-3-yl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 154743994
1-amino-N-(1-benzylpiperidin-4-yl)cyclopropane-1-carboxamide;dihydrochloride
CID 119827542
1-benzyl-3-(methylaminomethyl)pyrrolidin-3-ol;dihydrochloride
CID 19382170

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(1-benzyl-3-hydroxypiperidin-3-yl)acetyl]piperidin-4-yl]-3-methylurea?
The IUPAC name of 1-[1-[2-(1-benzyl-3-hydroxypiperidin-3-yl)acetyl]piperidin-4-yl]-3-methylurea (CID 146134068) is 1-[1-[2-(1-benzyl-3-hydroxypiperidin-3-yl)acetyl]piperidin-4-yl]-3-methylurea.
What is the SMILES notation for 1-[1-[2-(1-benzyl-3-hydroxypiperidin-3-yl)acetyl]piperidin-4-yl]-3-methylurea?
The canonical SMILES for 1-[1-[2-(1-benzyl-3-hydroxypiperidin-3-yl)acetyl]piperidin-4-yl]-3-methylurea is CNC(=O)NC1CCN(C(=O)CC2(O)CCCN(Cc3ccccc3)C2)CC1.
What is the InChIKey of 1-[1-[2-(1-benzyl-3-hydroxypiperidin-3-yl)acetyl]piperidin-4-yl]-3-methylurea?
The InChIKey is SPLWECZQMGZMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-22-20(27)23-18-8-12-25(13-9-18)19(26)14-21(28)10-5-11-24(16-21)15-17-6-3-2-4-7-17/h2-4,6-7,18,28H,5,8-16H2,1H3,(H2,22,23,27).
What are the key properties of 1-[1-[2-(1-benzyl-3-hydroxypiperidin-3-yl)acetyl]piperidin-4-yl]-3-methylurea?
1-[1-[2-(1-benzyl-3-hydroxypiperidin-3-yl)acetyl]piperidin-4-yl]-3-methylurea has a molecular weight of 388.51 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(1-benzyl-3-hydroxypiperidin-3-yl)acetyl]piperidin-4-yl]-3-methylurea is sourced from PubChem (CID 146134068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).