1-cyclohexyl-3-(3-methyl-2-piperidin-1-ylbutyl)urea

C17H33N3O — CID 110402862

IUPAC1-cyclohexyl-3-(3-methyl-2-piperidin-1-ylbutyl)urea
SMILESCC(C)C(CNC(=O)NC1CCCCC1)N1CCCCC1
InChIInChI=1S/C17H33N3O/c1-14(2)16(20-11-7-4-8-12-20)13-18-17(21)19-15-9-5-3-6-10-15/h14-16H,3-13H2,1-2H3,(H2,18,19,21)
InChIKeyHHDWUUZPCLDNHG-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.13
Rot. Bonds5

About 1-cyclohexyl-3-(3-methyl-2-piperidin-1-ylbutyl)urea

1-cyclohexyl-3-(3-methyl-2-piperidin-1-ylbutyl)urea (PubChem CID 110402862) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-methyl-2-piperidin-1-ylbutyl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-methyl-2-piperidin-1-ylbutyl)urea
PubChem CID110402862
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name1-cyclohexyl-3-(3-methyl-2-piperidin-1-ylbutyl)urea
SMILESCC(C)C(CNC(=O)NC1CCCCC1)N1CCCCC1
InChIInChI=1S/C17H33N3O/c1-14(2)16(20-11-7-4-8-12-20)13-18-17(21)19-15-9-5-3-6-10-15/h14-16H,3-13H2,1-2H3,(H2,18,19,21)
InChIKeyHHDWUUZPCLDNHG-UHFFFAOYSA-N
XLogP3.13
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(azepan-1-yl)-3-methylbutyl]-3-(4-hydroxycyclohexyl)urea
CID 110894656
1-cyclopropyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]urea
CID 55559318
1-cyclohexyl-3-(4-methyl-2-pyrrolidin-1-ylpentyl)urea
CID 110403501
1-cyclopentyl-3-[(2R)-2-hydroxypropyl]urea
CID 83040450
1-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]-3-[3-(trifluoromethyl)cyclohexyl]urea
CID 55744663
1-(1-methylsulfonylpiperidin-4-yl)-3-[(2R)-2-pyrrolidin-1-ylpropyl]urea
CID 95133776
2-[[[[2-(azepan-1-yl)-3-methylbutyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide
CID 111937327
3-methyl-N-(3-methyl-2-piperidin-1-ylbutyl)butanamide
CID 110402825
3-(cyclopentylcarbamoylamino)-2-methylpropanoic acid
CID 62670962
1-cyclohexyl-3-[4-methyl-2-(4-methylpiperazin-1-yl)pentyl]urea
CID 110403648
2-methyl-1-(3-methyl-2-pyrrolidin-1-ylbutyl)-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111319009
N-cyclohexyl-2-[[N'-methyl-N-(3-methyl-2-morpholin-4-ylbutyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111930342

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-methyl-2-piperidin-1-ylbutyl)urea?
The IUPAC name of 1-cyclohexyl-3-(3-methyl-2-piperidin-1-ylbutyl)urea (CID 110402862) is 1-cyclohexyl-3-(3-methyl-2-piperidin-1-ylbutyl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(3-methyl-2-piperidin-1-ylbutyl)urea?
The canonical SMILES for 1-cyclohexyl-3-(3-methyl-2-piperidin-1-ylbutyl)urea is CC(C)C(CNC(=O)NC1CCCCC1)N1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(3-methyl-2-piperidin-1-ylbutyl)urea?
The InChIKey is HHDWUUZPCLDNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-14(2)16(20-11-7-4-8-12-20)13-18-17(21)19-15-9-5-3-6-10-15/h14-16H,3-13H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-cyclohexyl-3-(3-methyl-2-piperidin-1-ylbutyl)urea?
1-cyclohexyl-3-(3-methyl-2-piperidin-1-ylbutyl)urea has a molecular weight of 295.47 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-methyl-2-piperidin-1-ylbutyl)urea is sourced from PubChem (CID 110402862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).