1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]urea

C18H33N7O — CID 126788341

IUPAC1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]urea
SMILESCN(C)C1CCN(CCNC(=O)Nc2ncn(C3CCCCC3)n2)CC1
InChIInChI=1S/C18H33N7O/c1-23(2)15-8-11-24(12-9-15)13-10-19-18(26)21-17-20-14-25(22-17)16-6-4-3-5-7-16/h14-16H,3-13H2,1-2H3,(H2,19,21,22,26)
InChIKeyDVTSXLVEXWFLSJ-UHFFFAOYSA-N
MW363.51 g/mol
LogP1.93
Rot. Bonds6

About 1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]urea

1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]urea (PubChem CID 126788341) has the molecular formula C18H33N7O and a molecular weight of 363.51 g/mol. Its IUPAC name is 1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]urea.

Molecular Properties

Compound Name1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]urea
PubChem CID126788341
Molecular FormulaC18H33N7O
Molecular Weight363.51 g/mol
Exact Mass363.27
IUPAC Name1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]urea
SMILESCN(C)C1CCN(CCNC(=O)Nc2ncn(C3CCCCC3)n2)CC1
InChIInChI=1S/C18H33N7O/c1-23(2)15-8-11-24(12-9-15)13-10-19-18(26)21-17-20-14-25(22-17)16-6-4-3-5-7-16/h14-16H,3-13H2,1-2H3,(H2,19,21,22,26)
InChIKeyDVTSXLVEXWFLSJ-UHFFFAOYSA-N
XLogP1.93
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-[2-[4-(dimethylamino)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

1-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-(1-phenylpiperidin-3-yl)urea
CID 167871591
1-(2-cycloheptylethyl)-3-(1-ethyl-1,2,4-triazol-3-yl)urea
CID 46993199
(2S)-2-amino-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]butanamide
CID 119895445
(3S)-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-3-methylsulfanylazepane-1-carboxamide
CID 97246357
N-(1-cyclohexyl-1,2,4-triazol-3-yl)-2-(4-methyl-2-oxo-1-pyridinyl)acetamide
CID 167973910
1-[2-[4-[benzenesulfonyl(methyl)amino]piperidin-1-yl]ethyl]-3-(2,3-dimethyl-4-pyridinyl)urea
CID 68847568
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrrolidine-2-carboxamide
CID 119895451
1-benzyl-N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]piperidine-4-carboxamide
CID 136512544
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-2-pyrrolidin-2-ylacetamide
CID 119895457
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119895410
1-[2-(4-hydroxypiperidin-1-yl)ethyl]-3-[4-(3-piperidin-1-ylcyclobutyl)oxyphenyl]urea
CID 169099000
1-cyclohexyl-2-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]guanidine;hydroiodide
CID 111752643

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]urea?
The IUPAC name of 1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]urea (CID 126788341) is 1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]urea.
What is the SMILES notation for 1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]urea?
The canonical SMILES for 1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]urea is CN(C)C1CCN(CCNC(=O)Nc2ncn(C3CCCCC3)n2)CC1.
What is the InChIKey of 1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]urea?
The InChIKey is DVTSXLVEXWFLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N7O/c1-23(2)15-8-11-24(12-9-15)13-10-19-18(26)21-17-20-14-25(22-17)16-6-4-3-5-7-16/h14-16H,3-13H2,1-2H3,(H2,19,21,22,26).
What are the key properties of 1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]urea?
1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]urea has a molecular weight of 363.51 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]urea is sourced from PubChem (CID 126788341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).