[1-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclobutyl]methanol

C25H36N2O3 — CID 68918068

IUPAC[1-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclobutyl]methanol
SMILESCc1c(OCC2CC2)ccc2c(CCC3CCN(CC4(CO)CCC4)CC3)noc12
InChIInChI=1S/C25H36N2O3/c1-18-23(29-15-20-3-4-20)8-6-21-22(26-30-24(18)21)7-5-19-9-13-27(14-10-19)16-25(17-28)11-2-12-25/h6,8,19-20,28H,2-5,7,9-17H2,1H3
InChIKeyCZECKXNNUPKJAY-UHFFFAOYSA-N
MW412.57 g/mol
LogP4.73
Rot. Bonds9

About [1-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclobutyl]methanol

[1-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclobutyl]methanol (PubChem CID 68918068) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is [1-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclobutyl]methanol
PubChem CID68918068
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC Name[1-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclobutyl]methanol
SMILESCc1c(OCC2CC2)ccc2c(CCC3CCN(CC4(CO)CCC4)CC3)noc12
InChIInChI=1S/C25H36N2O3/c1-18-23(29-15-20-3-4-20)8-6-21-22(26-30-24(18)21)7-5-19-9-13-27(14-10-19)16-25(17-28)11-2-12-25/h6,8,19-20,28H,2-5,7,9-17H2,1H3
InChIKeyCZECKXNNUPKJAY-UHFFFAOYSA-N
XLogP4.73
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclobutyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclobutane-1-carbonitrile
CID 68917783
4-[[3-[2-[1-[[1-(hydroxymethyl)cyclopropyl]methyl]piperidin-4-yl]ethyl]-7-methyl-1,2-benzoxazol-6-yl]oxymethyl]benzonitrile;N-methylmethanamine;dihydrochloride
CID 68922837
[1-[[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-methyl-1,2-benzoxazol-6-yl]oxymethyl]cyclopropyl]methanol
CID 68922564
1-[6-(cyclopropylmethoxy)-3-[2-[1-[[1-(methoxymethyl)cyclohexyl]methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
CID 58018961
1-[2-[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]ethyl]piperidin-2-one
CID 68923031
5-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one
CID 68917414
3-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]thiophene-2-carbonitrile;N-methylmethanamine
CID 68919505
[6-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-2-pyridinyl]carbamic acid;N-methylmethanamine
CID 68923120
5-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-2-fluorobenzonitrile
CID 68916938
2,2-dimethyl-3-[4-[2-(7-methyl-6-propoxy-1,2-benzoxazol-3-yl)ethyl]piperidin-1-yl]propan-1-ol
CID 68917848
N-methylmethanamine;4-[[7-methyl-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-6-yl]oxymethyl]cyclohexan-1-ol
CID 68920303
[2-[[4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclopropyl]methanol
CID 68916893

Frequently Asked Questions

What is the IUPAC name of [1-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclobutyl]methanol?
The IUPAC name of [1-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclobutyl]methanol (CID 68918068) is [1-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclobutyl]methanol?
The canonical SMILES for [1-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclobutyl]methanol is Cc1c(OCC2CC2)ccc2c(CCC3CCN(CC4(CO)CCC4)CC3)noc12.
What is the InChIKey of [1-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclobutyl]methanol?
The InChIKey is CZECKXNNUPKJAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N2O3/c1-18-23(29-15-20-3-4-20)8-6-21-22(26-30-24(18)21)7-5-19-9-13-27(14-10-19)16-25(17-28)11-2-12-25/h6,8,19-20,28H,2-5,7,9-17H2,1H3.
What are the key properties of [1-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclobutyl]methanol?
[1-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclobutyl]methanol has a molecular weight of 412.57 g/mol, XLogP of 4.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclobutyl]methanol is sourced from PubChem (CID 68918068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).