1-cyclohexyl-3-[1-(2-cyclohexyloxyacetyl)piperidin-4-yl]urea

C20H35N3O3 — CID 71887066

IUPAC1-cyclohexyl-3-[1-(2-cyclohexyloxyacetyl)piperidin-4-yl]urea
SMILESO=C(NC1CCCCC1)NC1CCN(C(=O)COC2CCCCC2)CC1
InChIInChI=1S/C20H35N3O3/c24-19(15-26-18-9-5-2-6-10-18)23-13-11-17(12-14-23)22-20(25)21-16-7-3-1-4-8-16/h16-18H,1-15H2,(H2,21,22,25)
InChIKeyPKVCUIPUXXDBKC-UHFFFAOYSA-N
MW365.52 g/mol
LogP2.96
Rot. Bonds5

About 1-cyclohexyl-3-[1-(2-cyclohexyloxyacetyl)piperidin-4-yl]urea

1-cyclohexyl-3-[1-(2-cyclohexyloxyacetyl)piperidin-4-yl]urea (PubChem CID 71887066) has the molecular formula C20H35N3O3 and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-cyclohexyl-3-[1-(2-cyclohexyloxyacetyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[1-(2-cyclohexyloxyacetyl)piperidin-4-yl]urea
PubChem CID71887066
Molecular FormulaC20H35N3O3
Molecular Weight365.52 g/mol
Exact Mass365.27
IUPAC Name1-cyclohexyl-3-[1-(2-cyclohexyloxyacetyl)piperidin-4-yl]urea
SMILESO=C(NC1CCCCC1)NC1CCN(C(=O)COC2CCCCC2)CC1
InChIInChI=1S/C20H35N3O3/c24-19(15-26-18-9-5-2-6-10-18)23-13-11-17(12-14-23)22-20(25)21-16-7-3-1-4-8-16/h16-18H,1-15H2,(H2,21,22,25)
InChIKeyPKVCUIPUXXDBKC-UHFFFAOYSA-N
XLogP2.96
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyloxy-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 87000800
1-(1-butanoylpiperidin-4-yl)-3-cyclohexylurea
CID 110819357
1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-cyclohexylurea
CID 119304295
2-cyclopentyloxy-1-piperazin-1-ylethanone;hydrochloride
CID 119402733
1-cyclohexyl-3-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]urea
CID 119750507
1-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]-3-cyclohexylurea;hydrochloride
CID 119664203
1-cyclohexyl-3-[1-(5-hydroxypentyl)piperidin-4-yl]urea
CID 111496272
1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-3-cyclopentylurea
CID 110820027
2-(4-chloro-3-fluorophenoxy)-N-[1-(2-cyclobutyloxyacetyl)piperidin-4-yl]acetamide
CID 139517542
1-cyclobutyl-3-cyclohexylurea
CID 17217147
1-cyclohexyl-3-[1-(2-phenylsulfanylacetyl)piperidin-4-yl]urea
CID 47070919
2-[4-(2-cyclohexyloxyacetyl)piperazin-1-yl]-N-ethylacetamide
CID 87000896

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[1-(2-cyclohexyloxyacetyl)piperidin-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[1-(2-cyclohexyloxyacetyl)piperidin-4-yl]urea (CID 71887066) is 1-cyclohexyl-3-[1-(2-cyclohexyloxyacetyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[1-(2-cyclohexyloxyacetyl)piperidin-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[1-(2-cyclohexyloxyacetyl)piperidin-4-yl]urea is O=C(NC1CCCCC1)NC1CCN(C(=O)COC2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-3-[1-(2-cyclohexyloxyacetyl)piperidin-4-yl]urea?
The InChIKey is PKVCUIPUXXDBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O3/c24-19(15-26-18-9-5-2-6-10-18)23-13-11-17(12-14-23)22-20(25)21-16-7-3-1-4-8-16/h16-18H,1-15H2,(H2,21,22,25).
What are the key properties of 1-cyclohexyl-3-[1-(2-cyclohexyloxyacetyl)piperidin-4-yl]urea?
1-cyclohexyl-3-[1-(2-cyclohexyloxyacetyl)piperidin-4-yl]urea has a molecular weight of 365.52 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[1-(2-cyclohexyloxyacetyl)piperidin-4-yl]urea is sourced from PubChem (CID 71887066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).