1-(1-cyclohexylpiperidin-3-yl)-3-[(1-hydroxycyclopentyl)methyl]urea

C18H33N3O2 — CID 111111817

IUPAC1-(1-cyclohexylpiperidin-3-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESO=C(NCC1(O)CCCC1)NC1CCCN(C2CCCCC2)C1
InChIInChI=1S/C18H33N3O2/c22-17(19-14-18(23)10-4-5-11-18)20-15-7-6-12-21(13-15)16-8-2-1-3-9-16/h15-16,23H,1-14H2,(H2,19,20,22)
InChIKeyXLKCCSIYPOADBV-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.39
Rot. Bonds4

About 1-(1-cyclohexylpiperidin-3-yl)-3-[(1-hydroxycyclopentyl)methyl]urea

1-(1-cyclohexylpiperidin-3-yl)-3-[(1-hydroxycyclopentyl)methyl]urea (PubChem CID 111111817) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 1-(1-cyclohexylpiperidin-3-yl)-3-[(1-hydroxycyclopentyl)methyl]urea.

Molecular Properties

Compound Name1-(1-cyclohexylpiperidin-3-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
PubChem CID111111817
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name1-(1-cyclohexylpiperidin-3-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
SMILESO=C(NCC1(O)CCCC1)NC1CCCN(C2CCCCC2)C1
InChIInChI=1S/C18H33N3O2/c22-17(19-14-18(23)10-4-5-11-18)20-15-7-6-12-21(13-15)16-8-2-1-3-9-16/h15-16,23H,1-14H2,(H2,19,20,22)
InChIKeyXLKCCSIYPOADBV-UHFFFAOYSA-N
XLogP2.39
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-1-cycloheptylpiperidin-3-yl]-3-ethylurea
CID 42383897
1-cyclobutyl-3-[(1-hydroxycyclopentyl)methyl]urea
CID 115642235
N-[2-[(1-cyclohexylpiperidin-3-yl)carbamoylamino]ethyl]acetamide
CID 71932035
1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104143
1-(1-cyclohexylpiperidin-3-yl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111506189
ethyl 3-[[(3R)-1-cycloheptylpiperidin-3-yl]carbamoylamino]propanoate
CID 25384080
N-(1-cycloheptylpiperidin-3-yl)cyclopentanecarboxamide
CID 45199037
1-(1-cyclohexylpiperidin-3-yl)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]methyl]urea
CID 86904655
N-[(3R)-1-cycloheptylpiperidin-3-yl]-2-methylsulfanylacetamide
CID 42567206
N-(1-cycloheptylpiperidin-3-yl)-3-methylsulfanylpropanamide
CID 45243625
(1-cyclopropylpiperidin-3-yl)carbamic acid
CID 170157266
1-(1-cyclopentylpyrrolidin-3-yl)-3-(3-hydroxybutyl)urea
CID 111438964

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylpiperidin-3-yl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The IUPAC name of 1-(1-cyclohexylpiperidin-3-yl)-3-[(1-hydroxycyclopentyl)methyl]urea (CID 111111817) is 1-(1-cyclohexylpiperidin-3-yl)-3-[(1-hydroxycyclopentyl)methyl]urea.
What is the SMILES notation for 1-(1-cyclohexylpiperidin-3-yl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The canonical SMILES for 1-(1-cyclohexylpiperidin-3-yl)-3-[(1-hydroxycyclopentyl)methyl]urea is O=C(NCC1(O)CCCC1)NC1CCCN(C2CCCCC2)C1.
What is the InChIKey of 1-(1-cyclohexylpiperidin-3-yl)-3-[(1-hydroxycyclopentyl)methyl]urea?
The InChIKey is XLKCCSIYPOADBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c22-17(19-14-18(23)10-4-5-11-18)20-15-7-6-12-21(13-15)16-8-2-1-3-9-16/h15-16,23H,1-14H2,(H2,19,20,22).
What are the key properties of 1-(1-cyclohexylpiperidin-3-yl)-3-[(1-hydroxycyclopentyl)methyl]urea?
1-(1-cyclohexylpiperidin-3-yl)-3-[(1-hydroxycyclopentyl)methyl]urea has a molecular weight of 323.48 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylpiperidin-3-yl)-3-[(1-hydroxycyclopentyl)methyl]urea is sourced from PubChem (CID 111111817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).