1-[6-(cyclopropylmethoxy)-3-[2-[1-[[1-(methoxymethyl)cyclohexyl]methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine

C30H47N3O3 — CID 58018961

IUPAC1-[6-(cyclopropylmethoxy)-3-[2-[1-[[1-(methoxymethyl)cyclohexyl]methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
SMILESCOCC1(CN2CCC(CCc3noc4c(CN(C)C)c(OCC5CC5)ccc34)CC2)CCCCC1
InChIInChI=1S/C30H47N3O3/c1-32(2)19-26-28(35-20-24-7-8-24)12-10-25-27(31-36-29(25)26)11-9-23-13-17-33(18-14-23)21-30(22-34-3)15-5-4-6-16-30/h10,12,23-24H,4-9,11,13-22H2,1-3H3
InChIKeyUEGPAFVXQLPXKY-UHFFFAOYSA-N
MW497.72 g/mol
LogP5.92
Rot. Bonds12

About 1-[6-(cyclopropylmethoxy)-3-[2-[1-[[1-(methoxymethyl)cyclohexyl]methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine

1-[6-(cyclopropylmethoxy)-3-[2-[1-[[1-(methoxymethyl)cyclohexyl]methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine (PubChem CID 58018961) has the molecular formula C30H47N3O3 and a molecular weight of 497.72 g/mol. Its IUPAC name is 1-[6-(cyclopropylmethoxy)-3-[2-[1-[[1-(methoxymethyl)cyclohexyl]methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[6-(cyclopropylmethoxy)-3-[2-[1-[[1-(methoxymethyl)cyclohexyl]methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
PubChem CID58018961
Molecular FormulaC30H47N3O3
Molecular Weight497.72 g/mol
Exact Mass497.36
IUPAC Name1-[6-(cyclopropylmethoxy)-3-[2-[1-[[1-(methoxymethyl)cyclohexyl]methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
SMILESCOCC1(CN2CCC(CCc3noc4c(CN(C)C)c(OCC5CC5)ccc34)CC2)CCCCC1
InChIInChI=1S/C30H47N3O3/c1-32(2)19-26-28(35-20-24-7-8-24)12-10-25-27(31-36-29(25)26)11-9-23-13-17-33(18-14-23)21-30(22-34-3)15-5-4-6-16-30/h10,12,23-24H,4-9,11,13-22H2,1-3H3
InChIKeyUEGPAFVXQLPXKY-UHFFFAOYSA-N
XLogP5.92
TPSA50.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.72
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[6-(cyclopropylmethoxy)-3-[2-[1-[[1-(methoxymethyl)cyclohexyl]methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine with MolForge

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Launch Full Analysis

Related Compounds

1-[6-(cyclopropylmethoxy)-3-[2-(1-prop-2-ynylpiperidin-4-yl)ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 87623407
1-[6-(cyclopropylmethoxy)-3-[2-[1-(oxolan-3-ylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 68919637
4-[[4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclohexan-1-ol
CID 58018354
[2-[[4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclopropyl]methanol
CID 68916893
1-[6-(cyclopropylmethoxy)-3-[2-[1-(2-phenylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 68923436
bis(1-[3-[2-[1-(cyclopentylmethyl)piperidin-4-yl]ethyl]-6-(cyclopropylmethoxy)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine);1-[6-(cyclopropylmethoxy)-3-(2-piperidin-4-ylethyl)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 159762646
tert-butyl 4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate
CID 58018658
[1-[[4-[2-[6-(cyclopropylmethoxy)-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]cyclobutyl]methanol
CID 68918068
1-[6-(cyclopropylmethoxy)-3-[2-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 68922733
4-[[4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]benzonitrile;dihydrochloride
CID 68923676
1-[6-(cyclopropylmethoxy)-3-[2-[1-[(3-fluoro-2-pyridinyl)methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
CID 58018665
1-[3-[2-[1-[(6-chloro-2-pyridinyl)methyl]piperidin-4-yl]ethyl]-6-(cyclopropylmethoxy)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
CID 58018737

Frequently Asked Questions

What is the IUPAC name of 1-[6-(cyclopropylmethoxy)-3-[2-[1-[[1-(methoxymethyl)cyclohexyl]methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[6-(cyclopropylmethoxy)-3-[2-[1-[[1-(methoxymethyl)cyclohexyl]methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine (CID 58018961) is 1-[6-(cyclopropylmethoxy)-3-[2-[1-[[1-(methoxymethyl)cyclohexyl]methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[6-(cyclopropylmethoxy)-3-[2-[1-[[1-(methoxymethyl)cyclohexyl]methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[6-(cyclopropylmethoxy)-3-[2-[1-[[1-(methoxymethyl)cyclohexyl]methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine is COCC1(CN2CCC(CCc3noc4c(CN(C)C)c(OCC5CC5)ccc34)CC2)CCCCC1.
What is the InChIKey of 1-[6-(cyclopropylmethoxy)-3-[2-[1-[[1-(methoxymethyl)cyclohexyl]methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine?
The InChIKey is UEGPAFVXQLPXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H47N3O3/c1-32(2)19-26-28(35-20-24-7-8-24)12-10-25-27(31-36-29(25)26)11-9-23-13-17-33(18-14-23)21-30(22-34-3)15-5-4-6-16-30/h10,12,23-24H,4-9,11,13-22H2,1-3H3.
What are the key properties of 1-[6-(cyclopropylmethoxy)-3-[2-[1-[[1-(methoxymethyl)cyclohexyl]methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine?
1-[6-(cyclopropylmethoxy)-3-[2-[1-[[1-(methoxymethyl)cyclohexyl]methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine has a molecular weight of 497.72 g/mol, XLogP of 5.92, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(cyclopropylmethoxy)-3-[2-[1-[[1-(methoxymethyl)cyclohexyl]methyl]piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 58018961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).