1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine

C28H38N4O2 — CID 58018676

IUPAC1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1c(N2CCOCC2)ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc12
InChIInChI=1S/C28H38N4O2/c1-30(2)21-25-27(32-16-18-33-19-17-32)11-9-24-26(29-34-28(24)25)10-8-22-12-14-31(15-13-22)20-23-6-4-3-5-7-23/h3-7,9,11,22H,8,10,12-21H2,1-2H3
InChIKeyCBYBNHGMIXAROW-UHFFFAOYSA-N
MW462.64 g/mol
LogP4.57
Rot. Bonds8

About 1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine

1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine (PubChem CID 58018676) has the molecular formula C28H38N4O2 and a molecular weight of 462.64 g/mol. Its IUPAC name is 1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
PubChem CID58018676
Molecular FormulaC28H38N4O2
Molecular Weight462.64 g/mol
Exact Mass462.30
IUPAC Name1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1c(N2CCOCC2)ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc12
InChIInChI=1S/C28H38N4O2/c1-30(2)21-25-27(32-16-18-33-19-17-32)11-9-24-26(29-34-28(24)25)10-8-22-12-14-31(15-13-22)20-23-6-4-3-5-7-23/h3-7,9,11,22H,8,10,12-21H2,1-2H3
InChIKeyCBYBNHGMIXAROW-UHFFFAOYSA-N
XLogP4.57
TPSA44.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine (CID 58018676) is 1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine is CN(C)Cc1c(N2CCOCC2)ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc12.
What is the InChIKey of 1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine?
The InChIKey is CBYBNHGMIXAROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O2/c1-30(2)21-25-27(32-16-18-33-19-17-32)11-9-24-26(29-34-28(24)25)10-8-22-12-14-31(15-13-22)20-23-6-4-3-5-7-23/h3-7,9,11,22H,8,10,12-21H2,1-2H3.
What are the key properties of 1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine?
1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine has a molecular weight of 462.64 g/mol, XLogP of 4.57, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 58018676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).