1-[6-(cyclopropylmethoxy)-3-[2-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine

C28H38N4O2 — CID 58018613

IUPAC1-[6-(cyclopropylmethoxy)-3-[2-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1c(OCC2CC2)ccc2c(CCC3CCN(CCc4ccccn4)CC3)noc12
InChIInChI=1S/C28H38N4O2/c1-31(2)19-25-27(33-20-22-6-7-22)11-9-24-26(30-34-28(24)25)10-8-21-12-16-32(17-13-21)18-14-23-5-3-4-15-29-23/h3-5,9,11,15,21-22H,6-8,10,12-14,16-20H2,1-2H3
InChIKeyQCDPASSZRZFPKN-UHFFFAOYSA-N
MW462.64 g/mol
LogP4.96
Rot. Bonds11

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

1-[6-(cyclopropylmethoxy)-3-[2-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine (PubChem CID 58018613) has the molecular formula C28H38N4O2 and a molecular weight of 462.64 g/mol. Its IUPAC name is 1-[6-(cyclopropylmethoxy)-3-[2-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[6-(cyclopropylmethoxy)-3-[2-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
PubChem CID58018613
Molecular FormulaC28H38N4O2
Molecular Weight462.64 g/mol
Exact Mass462.30
IUPAC Name1-[6-(cyclopropylmethoxy)-3-[2-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1c(OCC2CC2)ccc2c(CCC3CCN(CCc4ccccn4)CC3)noc12
InChIInChI=1S/C28H38N4O2/c1-31(2)19-25-27(33-20-22-6-7-22)11-9-24-26(30-34-28(24)25)10-8-21-12-16-32(17-13-21)18-14-23-5-3-4-15-29-23/h3-5,9,11,15,21-22H,6-8,10,12-14,16-20H2,1-2H3
InChIKeyQCDPASSZRZFPKN-UHFFFAOYSA-N
XLogP4.96
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-(cyclopropylmethoxy)-3-[2-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[6-(cyclopropylmethoxy)-3-[2-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine (CID 58018613) is 1-[6-(cyclopropylmethoxy)-3-[2-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[6-(cyclopropylmethoxy)-3-[2-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[6-(cyclopropylmethoxy)-3-[2-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine is CN(C)Cc1c(OCC2CC2)ccc2c(CCC3CCN(CCc4ccccn4)CC3)noc12.
What is the InChIKey of 1-[6-(cyclopropylmethoxy)-3-[2-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine?
The InChIKey is QCDPASSZRZFPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O2/c1-31(2)19-25-27(33-20-22-6-7-22)11-9-24-26(30-34-28(24)25)10-8-21-12-16-32(17-13-21)18-14-23-5-3-4-15-29-23/h3-5,9,11,15,21-22H,6-8,10,12-14,16-20H2,1-2H3.
What are the key properties of 1-[6-(cyclopropylmethoxy)-3-[2-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine?
1-[6-(cyclopropylmethoxy)-3-[2-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine has a molecular weight of 462.64 g/mol, XLogP of 4.96, 11 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-(2-pyridin-2-ylethyl)piperidin-4-yl]ethyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 58018613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).