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

C28H37ClN4O2 — CID 58018981

IUPAC1-[3-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1c(N2CCOCC2)ccc2c(CCC3CCN(Cc4ccc(Cl)cc4)CC3)noc12
InChIInChI=1S/C28H37ClN4O2/c1-31(2)20-25-27(33-15-17-34-18-16-33)10-8-24-26(30-35-28(24)25)9-5-21-11-13-32(14-12-21)19-22-3-6-23(29)7-4-22/h3-4,6-8,10,21H,5,9,11-20H2,1-2H3
InChIKeyKWJSEGYJPDGTHT-UHFFFAOYSA-N
MW497.08 g/mol
LogP5.22
Rot. Bonds8

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

1-[3-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine (PubChem CID 58018981) has the molecular formula C28H37ClN4O2 and a molecular weight of 497.08 g/mol. Its IUPAC name is 1-[3-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
PubChem CID58018981
Molecular FormulaC28H37ClN4O2
Molecular Weight497.08 g/mol
Exact Mass496.26
IUPAC Name1-[3-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
SMILESCN(C)Cc1c(N2CCOCC2)ccc2c(CCC3CCN(Cc4ccc(Cl)cc4)CC3)noc12
InChIInChI=1S/C28H37ClN4O2/c1-31(2)20-25-27(33-15-17-34-18-16-33)10-8-24-26(30-35-28(24)25)9-5-21-11-13-32(14-12-21)19-22-3-6-23(29)7-4-22/h3-4,6-8,10,21H,5,9,11-20H2,1-2H3
InChIKeyKWJSEGYJPDGTHT-UHFFFAOYSA-N
XLogP5.22
TPSA44.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.08
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

5-[[4-[2-[7-[(dimethylamino)methyl]-6-morpholin-4-yl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]thiophene-2-carbonitrile;dihydrochloride
CID 68924407
1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-methyl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
CID 70948308
CID 89127176
CID 89127176
5-[[4-[2-[7-[(dimethylamino)methyl]-6-piperidin-1-yl-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]thiophene-2-carbonitrile
CID 24830419
1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-butyl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
CID 58018881
1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(2-phenylethoxy)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 68923205
but-2-enedioic acid;1-[3-[2-[1-(1,3-dioxolan-2-ylmethyl)piperidin-4-yl]ethyl]-6-piperidin-1-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine
CID 68923528
1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-[(Z)-2-cyclopropylethenyl]-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 68920198
4-[[4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]benzonitrile;dihydrochloride
CID 68923676
5-[[4-[2-[6-(cyclopropylmethoxy)-7-[(dimethylamino)methyl]-1,2-benzoxazol-3-yl]ethyl]piperidin-1-yl]methyl]-2-fluorobenzonitrile;dihydrochloride
CID 68924384
1-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-6-(3-methylbut-2-enoxy)-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 68917776
3-[3-[2-(1-benzylpiperidin-4-yl)ethyl]-7-[(dimethylamino)methyl]-1,2-benzoxazol-6-yl]benzonitrile
CID 68917961

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine (CID 58018981) is 1-[3-[2-[1-[(4-chlorophenyl)methyl]piperidin-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-[(4-chlorophenyl)methyl]piperidin-4-yl]ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine is CN(C)Cc1c(N2CCOCC2)ccc2c(CCC3CCN(Cc4ccc(Cl)cc4)CC3)noc12.
What is the InChIKey of 1-[3-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine?
The InChIKey is KWJSEGYJPDGTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37ClN4O2/c1-31(2)20-25-27(33-15-17-34-18-16-33)10-8-24-26(30-35-28(24)25)9-5-21-11-13-32(14-12-21)19-22-3-6-23(29)7-4-22/h3-4,6-8,10,21H,5,9,11-20H2,1-2H3.
What are the key properties of 1-[3-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine?
1-[3-[2-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine has a molecular weight of 497.08 g/mol, XLogP of 5.22, 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-[(4-chlorophenyl)methyl]piperidin-4-yl]ethyl]-6-morpholin-4-yl-1,2-benzoxazol-7-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 58018981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).