1-[(1-hydroxycyclopentyl)methyl]-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea

C18H35N3O2 — CID 111861327

IUPAC1-[(1-hydroxycyclopentyl)methyl]-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea
SMILESCC(C)CCN1CCC(CNC(=O)NCC2(O)CCCC2)CC1
InChIInChI=1S/C18H35N3O2/c1-15(2)5-10-21-11-6-16(7-12-21)13-19-17(22)20-14-18(23)8-3-4-9-18/h15-16,23H,3-14H2,1-2H3,(H2,19,20,22)
InChIKeyMRTJPFAHAYLBFI-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.35
Rot. Bonds7

About 1-[(1-hydroxycyclopentyl)methyl]-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea

1-[(1-hydroxycyclopentyl)methyl]-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea (PubChem CID 111861327) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 1-[(1-hydroxycyclopentyl)methyl]-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclopentyl)methyl]-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea
PubChem CID111861327
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name1-[(1-hydroxycyclopentyl)methyl]-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea
SMILESCC(C)CCN1CCC(CNC(=O)NCC2(O)CCCC2)CC1
InChIInChI=1S/C18H35N3O2/c1-15(2)5-10-21-11-6-16(7-12-21)13-19-17(22)20-14-18(23)8-3-4-9-18/h15-16,23H,3-14H2,1-2H3,(H2,19,20,22)
InChIKeyMRTJPFAHAYLBFI-UHFFFAOYSA-N
XLogP2.35
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1-hydroxycyclopentyl)methyl]-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea with MolForge

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Related Compounds

1-[(1-hydroxycyclohexyl)methyl]-3-[(1-propylpiperidin-4-yl)methyl]urea
CID 110936693
1-[(1-hydroxycyclopentyl)methyl]-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 111104052
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111508183
4-amino-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]butanamide;dihydrochloride
CID 119898914
2-(4-aminophenyl)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide
CID 119898863
2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81155945
2-(2-methoxyethylamino)-N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]acetamide;dihydrochloride
CID 119898912
N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119898869
N-[[1-(3-methylbutyl)piperidin-4-yl]methyl]morpholine-3-carboxamide;dihydrochloride
CID 119898858
1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutane-1-carboxylic acid
CID 115446682
1-[(1-hydroxycyclobutyl)methyl]-3-[(2-methylcyclohexyl)methyl]urea
CID 111438461
1-[(1-hydroxycycloheptyl)methyl]-3-[2-(2-methylpropoxy)ethyl]urea
CID 111426754

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea?
The IUPAC name of 1-[(1-hydroxycyclopentyl)methyl]-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea (CID 111861327) is 1-[(1-hydroxycyclopentyl)methyl]-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclopentyl)methyl]-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclopentyl)methyl]-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea is CC(C)CCN1CCC(CNC(=O)NCC2(O)CCCC2)CC1.
What is the InChIKey of 1-[(1-hydroxycyclopentyl)methyl]-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea?
The InChIKey is MRTJPFAHAYLBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-15(2)5-10-21-11-6-16(7-12-21)13-19-17(22)20-14-18(23)8-3-4-9-18/h15-16,23H,3-14H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-[(1-hydroxycyclopentyl)methyl]-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea?
1-[(1-hydroxycyclopentyl)methyl]-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea has a molecular weight of 325.50 g/mol, XLogP of 2.35, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclopentyl)methyl]-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea is sourced from PubChem (CID 111861327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).