1-[(1-hydroxycyclohexyl)methyl]-3-[(1-propylpiperidin-4-yl)methyl]urea

C17H33N3O2 — CID 110936693

IUPAC1-[(1-hydroxycyclohexyl)methyl]-3-[(1-propylpiperidin-4-yl)methyl]urea
SMILESCCCN1CCC(CNC(=O)NCC2(O)CCCCC2)CC1
InChIInChI=1S/C17H33N3O2/c1-2-10-20-11-6-15(7-12-20)13-18-16(21)19-14-17(22)8-4-3-5-9-17/h15,22H,2-14H2,1H3,(H2,18,19,21)
InChIKeyBEIMCVFEYFBZKW-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.10
Rot. Bonds6

About 1-[(1-hydroxycyclohexyl)methyl]-3-[(1-propylpiperidin-4-yl)methyl]urea

1-[(1-hydroxycyclohexyl)methyl]-3-[(1-propylpiperidin-4-yl)methyl]urea (PubChem CID 110936693) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 1-[(1-hydroxycyclohexyl)methyl]-3-[(1-propylpiperidin-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclohexyl)methyl]-3-[(1-propylpiperidin-4-yl)methyl]urea
PubChem CID110936693
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name1-[(1-hydroxycyclohexyl)methyl]-3-[(1-propylpiperidin-4-yl)methyl]urea
SMILESCCCN1CCC(CNC(=O)NCC2(O)CCCCC2)CC1
InChIInChI=1S/C17H33N3O2/c1-2-10-20-11-6-15(7-12-20)13-18-16(21)19-14-17(22)8-4-3-5-9-17/h15,22H,2-14H2,1H3,(H2,18,19,21)
InChIKeyBEIMCVFEYFBZKW-UHFFFAOYSA-N
XLogP2.10
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-[(1-hydroxycyclohexyl)methyl]-3-[(1-propylpiperidin-4-yl)methyl]urea with MolForge

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Related Compounds

1-[(1-hydroxycyclopentyl)methyl]-3-[[1-(3-methylbutyl)piperidin-4-yl]methyl]urea
CID 111861327
1-[2-(1-ethylpiperidin-4-yl)ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111508183
1-[(1-hydroxycyclopentyl)methyl]-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 111104052
1-[[(1-propylazepan-4-yl)amino]methyl]cyclohexan-1-ol
CID 65107383
1-[(1-butylpiperidin-2-yl)methyl]-3-[(1-hydroxycyclobutyl)methyl]urea
CID 111438758
2-amino-N-[(1-propylpiperidin-4-yl)methyl]acetamide;dihydrochloride
CID 119861461
(2R)-2-amino-N-[(1-propylpiperidin-4-yl)methyl]propanamide
CID 119861450
1-[(3,4-dimethoxyphenyl)methyl]-3-[(1-propylpyrrolidin-3-yl)methyl]urea
CID 60568343
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-hydroxycyclohexyl)acetamide
CID 111537146
2-[1-[[(1-methylpiperidin-4-yl)methylcarbamoylamino]methyl]cyclobutyl]acetic acid
CID 81155945
1-[1-(cyclohexylmethyl)piperidin-4-yl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104143
1-[(1-propylpiperidin-4-yl)methyl]-3-(thian-3-yl)urea
CID 71862994

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-[(1-propylpiperidin-4-yl)methyl]urea?
The IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-[(1-propylpiperidin-4-yl)methyl]urea (CID 110936693) is 1-[(1-hydroxycyclohexyl)methyl]-3-[(1-propylpiperidin-4-yl)methyl]urea.
What is the SMILES notation for 1-[(1-hydroxycyclohexyl)methyl]-3-[(1-propylpiperidin-4-yl)methyl]urea?
The canonical SMILES for 1-[(1-hydroxycyclohexyl)methyl]-3-[(1-propylpiperidin-4-yl)methyl]urea is CCCN1CCC(CNC(=O)NCC2(O)CCCCC2)CC1.
What is the InChIKey of 1-[(1-hydroxycyclohexyl)methyl]-3-[(1-propylpiperidin-4-yl)methyl]urea?
The InChIKey is BEIMCVFEYFBZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-2-10-20-11-6-15(7-12-20)13-18-16(21)19-14-17(22)8-4-3-5-9-17/h15,22H,2-14H2,1H3,(H2,18,19,21).
What are the key properties of 1-[(1-hydroxycyclohexyl)methyl]-3-[(1-propylpiperidin-4-yl)methyl]urea?
1-[(1-hydroxycyclohexyl)methyl]-3-[(1-propylpiperidin-4-yl)methyl]urea has a molecular weight of 311.47 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclohexyl)methyl]-3-[(1-propylpiperidin-4-yl)methyl]urea is sourced from PubChem (CID 110936693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).